Organoheterocyclic compounds
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Benzyl 2,3-O-isopropylidene-alpha-D-mannofuranoside, Thermo Scientific™
CAS: 20689-03-6 Molecular Formula: C16H22O6 Molecular Weight (g/mol): 310.346 MDL Number: MFCD02683277 InChI Key: NKCNUNUEQRYLNZ-MLQJFRMTSA-N Synonym: benzyl 2,3-o-isopropylidene-alpha-d-mannofuranoside,benzyl 2,3-o-isopropylidene-,a-d-mannofuranoside,phenylmethyl 2,3-o-1-methylethylidene-,benzyl 3xi-2,3-o-1-methylethylidene-alpha-d-erythro-hexofuranoside,1r-1-4r,6s,6ar-6-benzyloxy-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl ethane-1,2-diol PubChem CID: 57370143 IUPAC Name: (1R)-1-[(3aR,4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol SMILES: CC1(OC2C(O1)C(OC2C(CO)O)OCC3=CC=CC=C3)C
| PubChem CID | 57370143 |
|---|---|
| CAS | 20689-03-6 |
| Molecular Weight (g/mol) | 310.346 |
| MDL Number | MFCD02683277 |
| SMILES | CC1(OC2C(O1)C(OC2C(CO)O)OCC3=CC=CC=C3)C |
| Synonym | benzyl 2,3-o-isopropylidene-alpha-d-mannofuranoside,benzyl 2,3-o-isopropylidene-,a-d-mannofuranoside,phenylmethyl 2,3-o-1-methylethylidene-,benzyl 3xi-2,3-o-1-methylethylidene-alpha-d-erythro-hexofuranoside,1r-1-4r,6s,6ar-6-benzyloxy-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl ethane-1,2-diol |
| IUPAC Name | (1R)-1-[(3aR,4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol |
| InChI Key | NKCNUNUEQRYLNZ-MLQJFRMTSA-N |
| Molecular Formula | C16H22O6 |
Thermo Scientific Chemicals 4,6-O-Ethylidene-D-glucopyranose, 90%
CAS: 13224-99-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00006820 InChI Key: VZPBLPQAMPVTFO-UHFFFAOYNA-N Synonym: 4,6-o-ethylidene-a-d-glucose PubChem CID: 21581900 IUPAC Name: (2R,4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol SMILES: CC1OCC2OC(O)C(O)C(O)C2O1
| PubChem CID | 21581900 |
|---|---|
| CAS | 13224-99-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00006820 |
| SMILES | CC1OCC2OC(O)C(O)C(O)C2O1 |
| Synonym | 4,6-o-ethylidene-a-d-glucose |
| IUPAC Name | (2R,4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol |
| InChI Key | VZPBLPQAMPVTFO-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
2-Bromopyridine-4-carboxylic acid, 97%
CAS: 66572-56-3 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD01646069 InChI Key: YBTKGKVQEXAYEM-UHFFFAOYSA-N Synonym: 2-bromoisonicotinic acid,2-bromo-4-pyridinecarboxylic acid,2-bromo-isonicotinic acid,2-bromo-4-pyridine carboxylic acid,4-pyridinecarboxylic acid, 2-bromo,2-bromoisonicotic acid,2-bromisonicotins,2-bromopyridine-4-carboxylicacid,pubchem9211,acmc-209nvt PubChem CID: 222701 IUPAC Name: 2-bromopyridine-4-carboxylic acid SMILES: C1=CN=C(C=C1C(=O)O)Br
| PubChem CID | 222701 |
|---|---|
| CAS | 66572-56-3 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD01646069 |
| SMILES | C1=CN=C(C=C1C(=O)O)Br |
| Synonym | 2-bromoisonicotinic acid,2-bromo-4-pyridinecarboxylic acid,2-bromo-isonicotinic acid,2-bromo-4-pyridine carboxylic acid,4-pyridinecarboxylic acid, 2-bromo,2-bromoisonicotic acid,2-bromisonicotins,2-bromopyridine-4-carboxylicacid,pubchem9211,acmc-209nvt |
| IUPAC Name | 2-bromopyridine-4-carboxylic acid |
| InChI Key | YBTKGKVQEXAYEM-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
7-Bromo-1-chloroisoquinoline, 97%, Thermo Scientific Chemicals
CAS: 215453-51-3 Molecular Formula: C9H5BrClN Molecular Weight (g/mol): 242.5 MDL Number: MFCD04039320 InChI Key: UMSWWSIVPWVJOX-UHFFFAOYSA-N Synonym: 7-bromo-1-chloro-isoquinoline,1-chloro-7-bromoisoquinoline,isoquinoline, 7-bromo-1-chloro,acmc-209y3w PubChem CID: 6502024 IUPAC Name: 7-bromo-1-chloroisoquinoline SMILES: C1=CC(=CC2=C1C=CN=C2Cl)Br
| PubChem CID | 6502024 |
|---|---|
| CAS | 215453-51-3 |
| Molecular Weight (g/mol) | 242.5 |
| MDL Number | MFCD04039320 |
| SMILES | C1=CC(=CC2=C1C=CN=C2Cl)Br |
| Synonym | 7-bromo-1-chloro-isoquinoline,1-chloro-7-bromoisoquinoline,isoquinoline, 7-bromo-1-chloro,acmc-209y3w |
| IUPAC Name | 7-bromo-1-chloroisoquinoline |
| InChI Key | UMSWWSIVPWVJOX-UHFFFAOYSA-N |
| Molecular Formula | C9H5BrClN |
2-Bromopyridine-4-carboxamide, 97%
CAS: 29840-73-1 Molecular Formula: C6H5BrN2O Molecular Weight (g/mol): 201.023 MDL Number: MFCD00234156 InChI Key: KCELTDZFDHPTBI-UHFFFAOYSA-N PubChem CID: 4625407 IUPAC Name: 2-bromopyridine-4-carboxamide SMILES: C1=CN=C(C=C1C(=O)N)Br
| PubChem CID | 4625407 |
|---|---|
| CAS | 29840-73-1 |
| Molecular Weight (g/mol) | 201.023 |
| MDL Number | MFCD00234156 |
| SMILES | C1=CN=C(C=C1C(=O)N)Br |
| IUPAC Name | 2-bromopyridine-4-carboxamide |
| InChI Key | KCELTDZFDHPTBI-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrN2O |
Methyl 2-aminopyridine-4-carboxylate, 97%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N Synonym: methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat PubChem CID: 236984 IUPAC Name: methyl 2-aminopyridine-4-carboxylate SMILES: COC(=O)C1=CC(=NC=C1)N
| PubChem CID | 236984 |
|---|---|
| CAS | 6937-03-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| SMILES | COC(=O)C1=CC(=NC=C1)N |
| Synonym | methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
3-Chloro-2-hydroxypyridine, 97%
CAS: 13466-35-8 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.54 MDL Number: MFCD01646109 InChI Key: XTYNIPUFKBBALX-UHFFFAOYSA-N Synonym: 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 PubChem CID: 582210 IUPAC Name: 3-chloro-1H-pyridin-2-one SMILES: ClC1=CC=CNC1=O
| PubChem CID | 582210 |
|---|---|
| CAS | 13466-35-8 |
| Molecular Weight (g/mol) | 129.54 |
| MDL Number | MFCD01646109 |
| SMILES | ClC1=CC=CNC1=O |
| Synonym | 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 |
| IUPAC Name | 3-chloro-1H-pyridin-2-one |
| InChI Key | XTYNIPUFKBBALX-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO |
2-Bromo-3-chloropyridine, 97%
CAS: 96424-68-9 Molecular Formula: C5H3BrClN Molecular Weight (g/mol): 192.44 MDL Number: MFCD04039344 InChI Key: GOHBBINNYAWQGO-UHFFFAOYSA-N Synonym: pyridine, 2-bromo-3-chloro,3-chloro-2-bromopyridine,2-bromo-3-chloro-pyridine,chloro bromo pyridine,pubchem5776,2-bromo-3-pyridyl chloride,ksc486m1b,2-bromo-3-chloropyridine,abbypharma ap-18-5389 PubChem CID: 7016326 IUPAC Name: 2-bromo-3-chloropyridine SMILES: C1=CC(=C(N=C1)Br)Cl
| PubChem CID | 7016326 |
|---|---|
| CAS | 96424-68-9 |
| Molecular Weight (g/mol) | 192.44 |
| MDL Number | MFCD04039344 |
| SMILES | C1=CC(=C(N=C1)Br)Cl |
| Synonym | pyridine, 2-bromo-3-chloro,3-chloro-2-bromopyridine,2-bromo-3-chloro-pyridine,chloro bromo pyridine,pubchem5776,2-bromo-3-pyridyl chloride,ksc486m1b,2-bromo-3-chloropyridine,abbypharma ap-18-5389 |
| IUPAC Name | 2-bromo-3-chloropyridine |
| InChI Key | GOHBBINNYAWQGO-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrClN |
6-Bromopyridine-3-boronic acid, 95%
CAS: 223463-14-7 Molecular Formula: C5H5BBrNO2 Molecular Weight (g/mol): 201.81 MDL Number: MFCD03411558 InChI Key: BCYWDUVHAPHGIP-UHFFFAOYSA-N Synonym: 2-bromopyridine-5-boronic acid,6-bromopyridin-3-yl boronic acid,6-bromopyridine-3-boronic acid,2-bromo-5-pyridineboronic acid,6-bromopyridin-3-lboronic acid,2-bromo-5-pyridylboronic acid,2-bromopyridyl-5-boronic acid,6-bromo-3-pyridylboronic acid,6-bromopyridin-3-yl-3-boronic acid,6-bromo-3-pyridinylboronic acid PubChem CID: 2762706 IUPAC Name: (6-bromopyridin-3-yl)boronic acid SMILES: OB(O)C1=CN=C(Br)C=C1
| PubChem CID | 2762706 |
|---|---|
| CAS | 223463-14-7 |
| Molecular Weight (g/mol) | 201.81 |
| MDL Number | MFCD03411558 |
| SMILES | OB(O)C1=CN=C(Br)C=C1 |
| Synonym | 2-bromopyridine-5-boronic acid,6-bromopyridin-3-yl boronic acid,6-bromopyridine-3-boronic acid,2-bromo-5-pyridineboronic acid,6-bromopyridin-3-lboronic acid,2-bromo-5-pyridylboronic acid,2-bromopyridyl-5-boronic acid,6-bromo-3-pyridylboronic acid,6-bromopyridin-3-yl-3-boronic acid,6-bromo-3-pyridinylboronic acid |
| IUPAC Name | (6-bromopyridin-3-yl)boronic acid |
| InChI Key | BCYWDUVHAPHGIP-UHFFFAOYSA-N |
| Molecular Formula | C5H5BBrNO2 |
2-Amino-5-fluoropyridine, 97%
CAS: 21717-96-4 Molecular Formula: C5H5FN2 Molecular Weight (g/mol): 112.11 MDL Number: MFCD01861120 InChI Key: YJTXQLYMECWULH-UHFFFAOYSA-N Synonym: 2-amino-5-fluoropyridine,5-fluoro-2-pyridinamine,5-fluoro-2-pyridineamine,5-fluoro-pyridin-2-ylamine,5-fluoro-2-pyridylamine,2-amino 5-fluoropyridine,2-pyridinamine, 5-fluoro,5-fluoro-2-aminopyridine,2-amino-5-fluoro pyridine,5-fluoropyridimine PubChem CID: 2737701 IUPAC Name: 5-fluoropyridin-2-amine SMILES: NC1=CC=C(F)C=N1
| PubChem CID | 2737701 |
|---|---|
| CAS | 21717-96-4 |
| Molecular Weight (g/mol) | 112.11 |
| MDL Number | MFCD01861120 |
| SMILES | NC1=CC=C(F)C=N1 |
| Synonym | 2-amino-5-fluoropyridine,5-fluoro-2-pyridinamine,5-fluoro-2-pyridineamine,5-fluoro-pyridin-2-ylamine,5-fluoro-2-pyridylamine,2-amino 5-fluoropyridine,2-pyridinamine, 5-fluoro,5-fluoro-2-aminopyridine,2-amino-5-fluoro pyridine,5-fluoropyridimine |
| IUPAC Name | 5-fluoropyridin-2-amine |
| InChI Key | YJTXQLYMECWULH-UHFFFAOYSA-N |
| Molecular Formula | C5H5FN2 |
3H-1,2-Benzodithiol-one 1,1-dioxide, 98%
CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O
| PubChem CID | 3009847 |
|---|---|
| CAS | 66304-01-6 |
| Molecular Weight (g/mol) | 200.226 |
| MDL Number | MFCD00132960 |
| SMILES | C1=CC=C2C(=C1)C(=O)SS2(=O)=O |
| IUPAC Name | 1,1-dioxo-1$l^{6},2-benzodithiol-3-one |
| InChI Key | JUDOLRSMWHVKGX-UHFFFAOYSA-N |
| Molecular Formula | C7H4O3S2 |
4-Amino-2-bromopyridine, 97%
CAS: 7598-35-8 Molecular Formula: C5H5BrN2 Molecular Weight (g/mol): 173.01 MDL Number: MFCD01646061 InChI Key: GNTGEMWEXKBWBX-UHFFFAOYSA-N Synonym: 4-amino-2-bromopyridine,2-bromo-4-aminopyridine,2-bromo-4-pyridylamine,2-bromo-4-pyridinamine,4-pyridinamine, 2-bromo,2-bromo-pyridin-4-ylamine,pubchem1100,pubchem1222,2-brompyridin-4-amin,2-bromopyridine-4-amine PubChem CID: 346455 IUPAC Name: 2-bromopyridin-4-amine SMILES: NC1=CC=NC(Br)=C1
| PubChem CID | 346455 |
|---|---|
| CAS | 7598-35-8 |
| Molecular Weight (g/mol) | 173.01 |
| MDL Number | MFCD01646061 |
| SMILES | NC1=CC=NC(Br)=C1 |
| Synonym | 4-amino-2-bromopyridine,2-bromo-4-aminopyridine,2-bromo-4-pyridylamine,2-bromo-4-pyridinamine,4-pyridinamine, 2-bromo,2-bromo-pyridin-4-ylamine,pubchem1100,pubchem1222,2-brompyridin-4-amin,2-bromopyridine-4-amine |
| IUPAC Name | 2-bromopyridin-4-amine |
| InChI Key | GNTGEMWEXKBWBX-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2 |
2,4-Dibromopyridine, 97%, Thermo Scientific Chemicals
CAS: 58530-53-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD01859720 InChI Key: PCMMSLVJMKQWMQ-UHFFFAOYSA-N Synonym: 2,4-dibromo-pyridine,pyridine, 2,4-dibromo,2,4-dibrompyridin,pubchem5452,acmc-1av5w,2,4-dibromopyridine,ksc493e4t PubChem CID: 817104 IUPAC Name: 2,4-dibromopyridine SMILES: BrC1=CC=NC(Br)=C1
| PubChem CID | 817104 |
|---|---|
| CAS | 58530-53-3 |
| Molecular Weight (g/mol) | 236.89 |
| MDL Number | MFCD01859720 |
| SMILES | BrC1=CC=NC(Br)=C1 |
| Synonym | 2,4-dibromo-pyridine,pyridine, 2,4-dibromo,2,4-dibrompyridin,pubchem5452,acmc-1av5w,2,4-dibromopyridine,ksc493e4t |
| IUPAC Name | 2,4-dibromopyridine |
| InChI Key | PCMMSLVJMKQWMQ-UHFFFAOYSA-N |
| Molecular Formula | C5H3Br2N |
Coelenterazine, native, Aequorea sp., Thermo Scientific Chemicals
CAS: 55779-48-1 Molecular Formula: C26H21N3O3 Molecular Weight (g/mol): 423.472 MDL Number: MFCD00467176 InChI Key: YHIPILPTUVMWQT-UHFFFAOYSA-N Synonym: coelenterazine,oplophorus luciferin,unii-3o1cb88rrd,clzn,coelenterate luciferin,coelenterazine, native,3o1cb88rrd,8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one,2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one,3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one PubChem CID: 2830 ChEBI: CHEBI:2311 IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one SMILES: C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O
| PubChem CID | 2830 |
|---|---|
| CAS | 55779-48-1 |
| Molecular Weight (g/mol) | 423.472 |
| ChEBI | CHEBI:2311 |
| MDL Number | MFCD00467176 |
| SMILES | C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O |
| Synonym | coelenterazine,oplophorus luciferin,unii-3o1cb88rrd,clzn,coelenterate luciferin,coelenterazine, native,3o1cb88rrd,8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one,2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one,3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one |
| IUPAC Name | 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one |
| InChI Key | YHIPILPTUVMWQT-UHFFFAOYSA-N |
| Molecular Formula | C26H21N3O3 |
3-Quinuclidinol, 98+%, Thermo Scientific Chemicals
CAS: 1619-34-7 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.187 MDL Number: MFCD00151326 InChI Key: IVLICPVPXWEGCA-UHFFFAOYSA-N Synonym: 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol PubChem CID: 15381 ChEBI: CHEBI:115239 IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ol SMILES: C1CN2CCC1C(C2)O
| PubChem CID | 15381 |
|---|---|
| CAS | 1619-34-7 |
| Molecular Weight (g/mol) | 127.187 |
| ChEBI | CHEBI:115239 |
| MDL Number | MFCD00151326 |
| SMILES | C1CN2CCC1C(C2)O |
| Synonym | 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol |
| IUPAC Name | 1-azabicyclo[2.2.2]octan-3-ol |
| InChI Key | IVLICPVPXWEGCA-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |