Pyridines and derivatives

Aromatic organic compounds consist of an aromatic six-membered ring containing one nitrogen atom and five carbon atoms; includes compounds derived from pyridines.

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3-(1-Pyridinio)-1-propanesulfonate, 99%

CAS: 15471-17-7 Molecular Formula: C8H11NO3S Molecular Weight (g/mol): 201.24 MDL Number: MFCD00064468 InChI Key: REEBJQTUIJTGAL-UHFFFAOYSA-N Synonym: 3-pyridin-1-ium-1-yl propane-1-sulfonate,ndsb-201,1-3-sulphonatopropyl pyridinium,unii-qn4i6ai9ek,3-1-pyridinio-1-propanesulfonate,1-pyridiniumpropane-3-sulfonate,qn4i6ai9ek,1-3-sulfopropyl pyridinium hydroxide, inner salt,pyridinium, 1-3-sulfopropyl-, inner salt,1-3-sulfonatopropyl pyridin-1-ium PubChem CID: 84929 IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate SMILES: [O-]S(=O)(=O)CCC[N+]1=CC=CC=C1

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Specifications

PubChem CID	84929
CAS	15471-17-7
Molecular Weight (g/mol)	201.24
MDL Number	MFCD00064468
SMILES	[O-]S(=O)(=O)CCC[N+]1=CC=CC=C1
Synonym	3-pyridin-1-ium-1-yl propane-1-sulfonate,ndsb-201,1-3-sulphonatopropyl pyridinium,unii-qn4i6ai9ek,3-1-pyridinio-1-propanesulfonate,1-pyridiniumpropane-3-sulfonate,qn4i6ai9ek,1-3-sulfopropyl pyridinium hydroxide, inner salt,pyridinium, 1-3-sulfopropyl-, inner salt,1-3-sulfonatopropyl pyridin-1-ium
IUPAC Name	3-pyridin-1-ium-1-ylpropane-1-sulfonate
InChI Key	REEBJQTUIJTGAL-UHFFFAOYSA-N
Molecular Formula	C8H11NO3S

1-Bromoisoquinoline, 95+%

CAS: 1532-71-4 MDL Number: MFCD00234478 InChI Key: YWWZASFPWWPUBN-UHFFFAOYSA-N Synonym: isoquinoline, 1-bromo,1-bromo-isoquinoline,bromoisoquinoline,zlchem 702,pubchem6211,acmc-1bqnj,1-bromoisoquinoline,abbypharma ap-12-10888 PubChem CID: 640963 IUPAC Name: 1-bromoisoquinoline SMILES: C1=CC=C2C(=C1)C=CN=C2Br

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PubChem CID	640963
CAS	1532-71-4
MDL Number	MFCD00234478
SMILES	C1=CC=C2C(=C1)C=CN=C2Br
Synonym	isoquinoline, 1-bromo,1-bromo-isoquinoline,bromoisoquinoline,zlchem 702,pubchem6211,acmc-1bqnj,1-bromoisoquinoline,abbypharma ap-12-10888
IUPAC Name	1-bromoisoquinoline
InChI Key	YWWZASFPWWPUBN-UHFFFAOYSA-N

1-Methylisoquinoline, 97%

CAS: 1721-93-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006902 InChI Key: PBYMYAJONQZORL-UHFFFAOYSA-N Synonym: isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 PubChem CID: 15592 IUPAC Name: 1-methylisoquinoline SMILES: CC1=NC=CC2=CC=CC=C12

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Specifications

PubChem CID	15592
CAS	1721-93-3
Molecular Weight (g/mol)	143.189
MDL Number	MFCD00006902
SMILES	CC1=NC=CC2=CC=CC=C12
Synonym	isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034
IUPAC Name	1-methylisoquinoline
InChI Key	PBYMYAJONQZORL-UHFFFAOYSA-N
Molecular Formula	C10H9N

1-Chloroisoquinoline, 95%

CAS: 19493-44-8 Molecular Formula: C9H6ClN Molecular Weight (g/mol): 163.604 MDL Number: MFCD00024134 InChI Key: MSQCQINLJMEVNJ-UHFFFAOYSA-N Synonym: 1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline PubChem CID: 140539 IUPAC Name: 1-chloroisoquinoline SMILES: C1=CC=C2C(=C1)C=CN=C2Cl

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Specifications

PubChem CID	140539
CAS	19493-44-8
Molecular Weight (g/mol)	163.604
MDL Number	MFCD00024134
SMILES	C1=CC=C2C(=C1)C=CN=C2Cl
Synonym	1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline
IUPAC Name	1-chloroisoquinoline
InChI Key	MSQCQINLJMEVNJ-UHFFFAOYSA-N
Molecular Formula	C9H6ClN

1-Chloroisoquinoline, 97+%

CAS: 19493-44-8 Molecular Formula: C₉H₆ClN Molecular Weight (g/mol): 163.61 MDL Number: MFCD00024134 InChI Key: MSQCQINLJMEVNJ-UHFFFAOYSA-N Synonym: 1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline PubChem CID: 140539 IUPAC Name: 1-chloroisoquinoline SMILES: C1=CC=C2C(=C1)C=CN=C2Cl

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Specifications

PubChem CID	140539
CAS	19493-44-8
Molecular Weight (g/mol)	163.61
MDL Number	MFCD00024134
SMILES	C1=CC=C2C(=C1)C=CN=C2Cl
Synonym	1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline
IUPAC Name	1-chloroisoquinoline
InChI Key	MSQCQINLJMEVNJ-UHFFFAOYSA-N
Molecular Formula	C₉H₆ClN

1-Aminopyridinium iodide, 97%

CAS: 6295-87-0 Molecular Formula: C5H7IN2 Molecular Weight (g/mol): 222.03 MDL Number: MFCD00051893 InChI Key: NDRLPYIMWROJBG-UHFFFAOYSA-M Synonym: 1-aminopyridinium iodide,1-aminopyridin-1-ium iodide,n-aminopyridinium iodide,pyridinium, 1-amino-, iodide,1-aminopyridiniumiodide,pyridylamine, iodide,aminopyridinium iodide,amino-pyridinium iodide,l-aminopyridinium iodide,acmc-209nay PubChem CID: 2733704 IUPAC Name: pyridin-1-ium-1-amine;iodide SMILES: [I-].N[N+]1=CC=CC=C1

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PubChem CID	2733704
CAS	6295-87-0
Molecular Weight (g/mol)	222.03
MDL Number	MFCD00051893
SMILES	[I-].N[N+]1=CC=CC=C1
Synonym	1-aminopyridinium iodide,1-aminopyridin-1-ium iodide,n-aminopyridinium iodide,pyridinium, 1-amino-, iodide,1-aminopyridiniumiodide,pyridylamine, iodide,aminopyridinium iodide,amino-pyridinium iodide,l-aminopyridinium iodide,acmc-209nay
IUPAC Name	pyridin-1-ium-1-amine;iodide
InChI Key	NDRLPYIMWROJBG-UHFFFAOYSA-M
Molecular Formula	C5H7IN2

1-Ethylpyridinium bromide, 99%

CAS: 1906-79-2 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00041999 InChI Key: ABFDKXBSQCTIKH-UHFFFAOYSA-M Synonym: 1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide PubChem CID: 15927 IUPAC Name: 1-ethylpyridin-1-ium;bromide SMILES: CC[N+]1=CC=CC=C1.[Br-]

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PubChem CID	15927
CAS	1906-79-2
Molecular Weight (g/mol)	188.068
MDL Number	MFCD00041999
SMILES	CC[N+]1=CC=CC=C1.[Br-]
Synonym	1-ethylpyridinium bromide,1-ethylpyridin-1-ium bromide,ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide,n-ethylpyridinium bromide,pyridinium, 1-ethyl-, bromide 1:1,pyridineethobromide,ethylpyridiniumbromide,1-ethyl-pyridiniubromide,n-ethyl pyridinium bromide
IUPAC Name	1-ethylpyridin-1-ium;bromide
InChI Key	ABFDKXBSQCTIKH-UHFFFAOYSA-M
Molecular Formula	C7H10BrN

3-Cyanopyridine 1-oxide, 97%

CAS: 14906-64-0 Molecular Formula: C6H5N2O Molecular Weight (g/mol): 121.12 MDL Number: MFCD00129037 InChI Key: AABSWFBNBQBPEQ-UHFFFAOYNA-N Synonym: nicotinonitrile-1-oxide,3-cyanopyridine n-oxide,3-cyanopyridine-n-oxide,nicotinonitrile 1-oxide,3-cyanopyridine 1-oxide,3-cyanopyridin-1-ium-1-olate,3-pyridinecarbonitrile, 1-oxide,acmc-1c6hr,3-pyridinecarbonitrile,1-oxide,woovsqcalyyudo-uhfffaoysa PubChem CID: 84686 SMILES: [O-][NH++]1C=C[CH-]C(=C1)C#N

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Specifications

PubChem CID	84686
CAS	14906-64-0
Molecular Weight (g/mol)	121.12
MDL Number	MFCD00129037
SMILES	[O-][NH++]1C=C[CH-]C(=C1)C#N
Synonym	nicotinonitrile-1-oxide,3-cyanopyridine n-oxide,3-cyanopyridine-n-oxide,nicotinonitrile 1-oxide,3-cyanopyridine 1-oxide,3-cyanopyridin-1-ium-1-olate,3-pyridinecarbonitrile, 1-oxide,acmc-1c6hr,3-pyridinecarbonitrile,1-oxide,woovsqcalyyudo-uhfffaoysa
InChI Key	AABSWFBNBQBPEQ-UHFFFAOYNA-N
Molecular Formula	C6H5N2O

1-n-Butylpyridinium bromide, 99%

CAS: 874-80-6 Molecular Formula: C9H14BrN Molecular Weight (g/mol): 216.12 MDL Number: MFCD00671496 InChI Key: KVBQNFMTEUEOCD-UHFFFAOYSA-M Synonym: 1-butylpyridinium bromide,butylpyridinium bromide,1-butylpyridin-1-ium bromide,n-butylpyridinium bromide,unii-f72fd1bswg,f72fd1bswg,1-n-butylpyridinium bromide,pyridinium, 1-butyl-, bromide,1-butylpyridiniumbromide,acmc-209qnu PubChem CID: 2734238 IUPAC Name: 1-butylpyridin-1-ium;bromide SMILES: [Br-].CCCC[N+]1=CC=CC=C1

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Specifications

PubChem CID	2734238
CAS	874-80-6
Molecular Weight (g/mol)	216.12
MDL Number	MFCD00671496
SMILES	[Br-].CCCC[N+]1=CC=CC=C1
Synonym	1-butylpyridinium bromide,butylpyridinium bromide,1-butylpyridin-1-ium bromide,n-butylpyridinium bromide,unii-f72fd1bswg,f72fd1bswg,1-n-butylpyridinium bromide,pyridinium, 1-butyl-, bromide,1-butylpyridiniumbromide,acmc-209qnu
IUPAC Name	1-butylpyridin-1-ium;bromide
InChI Key	KVBQNFMTEUEOCD-UHFFFAOYSA-M
Molecular Formula	C9H14BrN

1-n-Butylpyridinium chloride, 98%

CAS: 1124-64-7 Molecular Formula: C9H14ClN Molecular Weight (g/mol): 171.668 MDL Number: MFCD00060047 InChI Key: POKOASTYJWUQJG-UHFFFAOYSA-M Synonym: 1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride PubChem CID: 2734171 IUPAC Name: 1-butylpyridin-1-ium;chloride SMILES: CCCC[N+]1=CC=CC=C1.[Cl-]

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PubChem CID	2734171
CAS	1124-64-7
Molecular Weight (g/mol)	171.668
MDL Number	MFCD00060047
SMILES	CCCC[N+]1=CC=CC=C1.[Cl-]
Synonym	1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride
IUPAC Name	1-butylpyridin-1-ium;chloride
InChI Key	POKOASTYJWUQJG-UHFFFAOYSA-M
Molecular Formula	C9H14ClN

1-Hexadecylpyridinium chloride monohydrate, 96.0-101.0%

CAS: 6004-24-6 Molecular Formula: C21H40ClNO Molecular Weight (g/mol): 358.01 MDL Number: MFCD00149977 InChI Key: NFCRBQADEGXVDL-UHFFFAOYSA-M Synonym: cetylpyridinium chloride monohydrate,1-hexadecylpyridin-1-ium chloride hydrate,1-hexadecylpyridinium chloride monohydrate,hexadecylpyridinium chloride monohydrate,unii-d9om4sk49p,pyridinium, 1-hexadecyl-, chloride, monohydrate,d9om4sk49p,cetylpyridinii chloridum,sprol tn PubChem CID: 22324 ChEBI: CHEBI:3566 IUPAC Name: 1-hexadecylpyridin-1-ium;chloride;hydrate SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1

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Specifications

PubChem CID	22324
CAS	6004-24-6
Molecular Weight (g/mol)	358.01
ChEBI	CHEBI:3566
MDL Number	MFCD00149977
SMILES	O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1
Synonym	cetylpyridinium chloride monohydrate,1-hexadecylpyridin-1-ium chloride hydrate,1-hexadecylpyridinium chloride monohydrate,hexadecylpyridinium chloride monohydrate,unii-d9om4sk49p,pyridinium, 1-hexadecyl-, chloride, monohydrate,d9om4sk49p,cetylpyridinii chloridum,sprol tn
IUPAC Name	1-hexadecylpyridin-1-ium;chloride;hydrate
InChI Key	NFCRBQADEGXVDL-UHFFFAOYSA-M
Molecular Formula	C21H40ClNO

(1-Hexadecyl)pyridinium chloride monohydrate, 98%

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Specifications

PubChem CID	22324
CAS	6004-24-6
Molecular Weight (g/mol)	358.01
ChEBI	CHEBI:3566
MDL Number	MFCD00149977
SMILES	O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1
Synonym	cetylpyridinium chloride monohydrate,1-hexadecylpyridin-1-ium chloride hydrate,1-hexadecylpyridinium chloride monohydrate,hexadecylpyridinium chloride monohydrate,unii-d9om4sk49p,pyridinium, 1-hexadecyl-, chloride, monohydrate,d9om4sk49p,cetylpyridinii chloridum,sprol tn
InChI Key	NFCRBQADEGXVDL-UHFFFAOYSA-M
Molecular Formula	C21H40ClNO

1-Cyano-4-(dimethylamino)pyridinium tetrafluoroborate, 98%

CAS: 59016-56-7 Molecular Formula: C8H10BF4N3 Molecular Weight (g/mol): 234.99 MDL Number: MFCD00011998 InChI Key: MBLVMDCQDCVKNE-UHFFFAOYSA-N Synonym: cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate PubChem CID: 9881151 IUPAC Name: 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N

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Specifications

PubChem CID	9881151
CAS	59016-56-7
Molecular Weight (g/mol)	234.99
MDL Number	MFCD00011998
SMILES	F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
Synonym	cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate
IUPAC Name	4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate
InChI Key	MBLVMDCQDCVKNE-UHFFFAOYSA-N
Molecular Formula	C8H10BF4N3

1-n-Butyl-4-methylpyridinium hexafluorophosphate, 99%

CAS: 401788-99-6 Molecular Formula: C10H16F6NP Molecular Weight (g/mol): 295.209 MDL Number: MFCD03095438 InChI Key: XBSZSSGZQFAUPF-UHFFFAOYSA-N Synonym: 1-butyl-4-methylpyridinium hexafluorophosphate,4mbppf6,1-butyl-4-methylpyridin-1-ium hexafluorophosphate,acmc-209jbi,dsstox_cid_29152,dsstox_rid_83371,dsstox_gsid_49296 PubChem CID: 11254899 IUPAC Name: 1-butyl-4-methylpyridin-1-ium;hexafluorophosphate SMILES: CCCC[N+]1=CC=C(C=C1)C.F[P-](F)(F)(F)(F)F

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Specifications

PubChem CID	11254899
CAS	401788-99-6
Molecular Weight (g/mol)	295.209
MDL Number	MFCD03095438
SMILES	CCCC[N+]1=CC=C(C=C1)C.F[P-](F)(F)(F)(F)F
Synonym	1-butyl-4-methylpyridinium hexafluorophosphate,4mbppf6,1-butyl-4-methylpyridin-1-ium hexafluorophosphate,acmc-209jbi,dsstox_cid_29152,dsstox_rid_83371,dsstox_gsid_49296
IUPAC Name	1-butyl-4-methylpyridin-1-ium;hexafluorophosphate
InChI Key	XBSZSSGZQFAUPF-UHFFFAOYSA-N
Molecular Formula	C10H16F6NP

1-n-Butyl-3-methylpyridinium tetrafluoroborate, 99%

CAS: 597581-48-1 Molecular Formula: C10H16BF4N Molecular Weight (g/mol): 237.05 MDL Number: MFCD08458499 InChI Key: UQEAMJVKASNOMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylpyridinium tetrafluoroborate,n-butyl-3-methylpyridinium tetrafluoroborate,1-butyl-3-methylpyridin-1-ium tetrafluoroborate,acmc-20ak5s,dsstox_cid_29281,dsstox_rid_83400,dsstox_gsid_49325 PubChem CID: 17841257 IUPAC Name: 1-butyl-3-methylpyridin-1-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCC[N+]1=CC=CC(C)=C1

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Specifications

PubChem CID	17841257
CAS	597581-48-1
Molecular Weight (g/mol)	237.05
MDL Number	MFCD08458499
SMILES	F[B-](F)(F)F.CCCC[N+]1=CC=CC(C)=C1
Synonym	1-butyl-3-methylpyridinium tetrafluoroborate,n-butyl-3-methylpyridinium tetrafluoroborate,1-butyl-3-methylpyridin-1-ium tetrafluoroborate,acmc-20ak5s,dsstox_cid_29281,dsstox_rid_83400,dsstox_gsid_49325
IUPAC Name	1-butyl-3-methylpyridin-1-ium;tetrafluoroborate
InChI Key	UQEAMJVKASNOMA-UHFFFAOYSA-N
Molecular Formula	C10H16BF4N

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Pyridines and derivatives

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