Organoheterocyclic compounds
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1-Chloromethyl-1H-1,2,4-triazole hydrochloride, 96%
CAS: 84387-61-1 Molecular Formula: C3H4ClN3 Molecular Weight (g/mol): 117.54 MDL Number: MFCD00964947 InChI Key: PXNMFQMREJNQQT-UHFFFAOYSA-N PubChem CID: 3743882 SMILES: ClCN1C=NC=N1
| PubChem CID | 3743882 |
|---|---|
| CAS | 84387-61-1 |
| Molecular Weight (g/mol) | 117.54 |
| MDL Number | MFCD00964947 |
| SMILES | ClCN1C=NC=N1 |
| InChI Key | PXNMFQMREJNQQT-UHFFFAOYSA-N |
| Molecular Formula | C3H4ClN3 |
6-Bromo[1,3]oxazolo[4,5-b]pyridin-2(3H)-one, 97%, Thermo Scientific Chemicals
CAS: 21594-52-5 Molecular Formula: C6H3BrN2O2 Molecular Weight (g/mol): 215.01 MDL Number: MFCD08689590 InChI Key: VQPBRWIFFBIRRP-UHFFFAOYSA-N Synonym: 6-bromo-3h-oxazolo 4,5-b pyridin-2-one,6-bromooxazolo 4,5-b pyridin-2 3h-one,6-bromo-2h,3h-1,3 oxazolo 4,5-b pyridin-2-one,oxazolo 4,5-b pyridin-2 3h-one, 6-bromo,6-bromo 1,3 oxazolo 4,5-b pyridin-2 3h-one,6-bromo-oxazolo 4,5-b pyridin-2 3h-one,6-bromo-3h-1,3 oxazolo 4,5-b pyridin-2-one,pubchem17712,acmc-1cakb,6-bromooxooxazolo 4,5-b pyridine PubChem CID: 13614458 IUPAC Name: 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one SMILES: C1=C2C(=NC=C1Br)NC(=O)O2
| PubChem CID | 13614458 |
|---|---|
| CAS | 21594-52-5 |
| Molecular Weight (g/mol) | 215.01 |
| MDL Number | MFCD08689590 |
| SMILES | C1=C2C(=NC=C1Br)NC(=O)O2 |
| Synonym | 6-bromo-3h-oxazolo 4,5-b pyridin-2-one,6-bromooxazolo 4,5-b pyridin-2 3h-one,6-bromo-2h,3h-1,3 oxazolo 4,5-b pyridin-2-one,oxazolo 4,5-b pyridin-2 3h-one, 6-bromo,6-bromo 1,3 oxazolo 4,5-b pyridin-2 3h-one,6-bromo-oxazolo 4,5-b pyridin-2 3h-one,6-bromo-3h-1,3 oxazolo 4,5-b pyridin-2-one,pubchem17712,acmc-1cakb,6-bromooxooxazolo 4,5-b pyridine |
| IUPAC Name | 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one |
| InChI Key | VQPBRWIFFBIRRP-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O2 |
Ethyl 4,6-dichloroquinoline-3-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 21168-41-2 Molecular Formula: C12H9Cl2NO2 Molecular Weight (g/mol): 270.11 MDL Number: MFCD00173348 InChI Key: BSSNTDZRVNQGDF-UHFFFAOYSA-N Synonym: ethyl 4,6-dichloro-3-quinolinecarboxylate,4,6-dichloroquinoline-3-carboxylic acid ethyl ester,ethyl-4,6-dichloroquinoline-3-carboxylate,3-quinolinecarboxylic acid, 4,6-dichloro-, ethyl ester,ethyl-4, 6-dichloroquinoline-3-carboxylate,4,6-dichloro-3-quinolinecarboxylic acid ethyl ester,3-quinolinecarboxylicacid, 4,6-dichloro-, ethyl ester,4,6-dichloroquinoline-3-carboxylic acid, ethyl ester PubChem CID: 1479087 IUPAC Name: ethyl 4,6-dichloroquinoline-3-carboxylate SMILES: CCOC(=O)C1=CN=C2C=CC(Cl)=CC2=C1Cl
| PubChem CID | 1479087 |
|---|---|
| CAS | 21168-41-2 |
| Molecular Weight (g/mol) | 270.11 |
| MDL Number | MFCD00173348 |
| SMILES | CCOC(=O)C1=CN=C2C=CC(Cl)=CC2=C1Cl |
| Synonym | ethyl 4,6-dichloro-3-quinolinecarboxylate,4,6-dichloroquinoline-3-carboxylic acid ethyl ester,ethyl-4,6-dichloroquinoline-3-carboxylate,3-quinolinecarboxylic acid, 4,6-dichloro-, ethyl ester,ethyl-4, 6-dichloroquinoline-3-carboxylate,4,6-dichloro-3-quinolinecarboxylic acid ethyl ester,3-quinolinecarboxylicacid, 4,6-dichloro-, ethyl ester,4,6-dichloroquinoline-3-carboxylic acid, ethyl ester |
| IUPAC Name | ethyl 4,6-dichloroquinoline-3-carboxylate |
| InChI Key | BSSNTDZRVNQGDF-UHFFFAOYSA-N |
| Molecular Formula | C12H9Cl2NO2 |
3,4,5,6-Tetrachloropyridine-2-carboxylic acid, 98%
CAS: 10469-09-7 Molecular Formula: C6HCl4NO2 Molecular Weight (g/mol): 260.88 MDL Number: MFCD00185833 InChI Key: GXFRQLQUKBSYQL-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrachloropicolinic acid,tetrachloropicolinic acid,tetrachloropyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 3,4,5,6-tetrachloro,unii-7e9zn8ab09,3,4,5,6-tetrachloro-2-pyridinecarboxylic acid,2-pyridinecarboxylicacid, 3,4,5,6-tetrachloro,tetrachloropyridine-2-carboxylicacid,dsstox_cid_24509,dsstox_rid_80279 PubChem CID: 82646 IUPAC Name: 3,4,5,6-tetrachloropyridine-2-carboxylic acid SMILES: OC(=O)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 82646 |
|---|---|
| CAS | 10469-09-7 |
| Molecular Weight (g/mol) | 260.88 |
| MDL Number | MFCD00185833 |
| SMILES | OC(=O)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl |
| Synonym | 3,4,5,6-tetrachloropicolinic acid,tetrachloropicolinic acid,tetrachloropyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 3,4,5,6-tetrachloro,unii-7e9zn8ab09,3,4,5,6-tetrachloro-2-pyridinecarboxylic acid,2-pyridinecarboxylicacid, 3,4,5,6-tetrachloro,tetrachloropyridine-2-carboxylicacid,dsstox_cid_24509,dsstox_rid_80279 |
| IUPAC Name | 3,4,5,6-tetrachloropyridine-2-carboxylic acid |
| InChI Key | GXFRQLQUKBSYQL-UHFFFAOYSA-N |
| Molecular Formula | C6HCl4NO2 |
delta-Dodecanolactone, 98%
CAS: 713-95-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00006651 InChI Key: QRPLZGZHJABGRS-UHFFFAOYSA-N Synonym: delta-dodecalactone,5-dodecanolide,delta-dodecanolactone,dodecan-5-olide,6-heptyltetrahydro-2h-pyran-2-one,5-dodecalactone,2h-pyran-2-one, 6-heptyltetrahydro,dodecanolide-1,5,5-hydroxydodecanoic acid lactone,n-heptyl-delta-valerolactone PubChem CID: 12844 IUPAC Name: 6-heptyloxan-2-one SMILES: CCCCCCCC1CCCC(=O)O1
| PubChem CID | 12844 |
|---|---|
| CAS | 713-95-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00006651 |
| SMILES | CCCCCCCC1CCCC(=O)O1 |
| Synonym | delta-dodecalactone,5-dodecanolide,delta-dodecanolactone,dodecan-5-olide,6-heptyltetrahydro-2h-pyran-2-one,5-dodecalactone,2h-pyran-2-one, 6-heptyltetrahydro,dodecanolide-1,5,5-hydroxydodecanoic acid lactone,n-heptyl-delta-valerolactone |
| IUPAC Name | 6-heptyloxan-2-one |
| InChI Key | QRPLZGZHJABGRS-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Quinoline-2-carbonitrile, 97%
CAS: 1436-43-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00134341 InChI Key: WDXARTMCIRVMAE-UHFFFAOYSA-N Synonym: 2-quinolinecarbonitrile,quinaldonitrile,2-cyanoquinoline,quinolinecarbonitrile,cyanoquinoline,2-cyano-quinoline,quinoline-2-carbinitrile,acmc-1bzd0 PubChem CID: 74031 IUPAC Name: quinoline-2-carbonitrile SMILES: N#CC1=CC=C2C=CC=CC2=N1
| PubChem CID | 74031 |
|---|---|
| CAS | 1436-43-7 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00134341 |
| SMILES | N#CC1=CC=C2C=CC=CC2=N1 |
| Synonym | 2-quinolinecarbonitrile,quinaldonitrile,2-cyanoquinoline,quinolinecarbonitrile,cyanoquinoline,2-cyano-quinoline,quinoline-2-carbinitrile,acmc-1bzd0 |
| IUPAC Name | quinoline-2-carbonitrile |
| InChI Key | WDXARTMCIRVMAE-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2 |
(1-Thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methanol, 97%, Thermo Scientific™
CAS: 910037-26-2 Molecular Formula: C12H15N3OS Molecular Weight (g/mol): 249.332 MDL Number: MFCD09065024 InChI Key: UXMVQNYPOJJGNA-UHFFFAOYSA-N Synonym: 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methanol,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanol,4-piperidinemethanol,1-thieno 3,2-d pyrimidin-4-yl,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methan-1-ol PubChem CID: 24229707 IUPAC Name: (1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol SMILES: C1CN(CCC1CO)C2=NC=NC3=C2SC=C3
| PubChem CID | 24229707 |
|---|---|
| CAS | 910037-26-2 |
| Molecular Weight (g/mol) | 249.332 |
| MDL Number | MFCD09065024 |
| SMILES | C1CN(CCC1CO)C2=NC=NC3=C2SC=C3 |
| Synonym | 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methanol,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanol,4-piperidinemethanol,1-thieno 3,2-d pyrimidin-4-yl,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methan-1-ol |
| IUPAC Name | (1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol |
| InChI Key | UXMVQNYPOJJGNA-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3OS |
3-Bromocarbazole, 98%
CAS: 1592-95-6 Molecular Formula: C12H8BrN Molecular Weight (g/mol): 246.107 MDL Number: MFCD00222621 InChI Key: LTBWKAYPXIIVPC-UHFFFAOYSA-N Synonym: 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc PubChem CID: 252446 IUPAC Name: 3-bromo-9H-carbazole SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
| PubChem CID | 252446 |
|---|---|
| CAS | 1592-95-6 |
| Molecular Weight (g/mol) | 246.107 |
| MDL Number | MFCD00222621 |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br |
| Synonym | 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc |
| IUPAC Name | 3-bromo-9H-carbazole |
| InChI Key | LTBWKAYPXIIVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H8BrN |
4-(1-Imidazolyl)phenol, 97%
CAS: 10041-02-8 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00005281 InChI Key: CYKCUAPYWQDIKR-UHFFFAOYSA-N Synonym: 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol PubChem CID: 82315 IUPAC Name: 4-imidazol-1-ylphenol SMILES: OC1=CC=C(C=C1)N1C=CN=C1
| PubChem CID | 82315 |
|---|---|
| CAS | 10041-02-8 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00005281 |
| SMILES | OC1=CC=C(C=C1)N1C=CN=C1 |
| Synonym | 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol |
| IUPAC Name | 4-imidazol-1-ylphenol |
| InChI Key | CYKCUAPYWQDIKR-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
Morpholino(4-piperidinyl)methanone hydrochloride, ≥90%, Thermo Scientific™
CAS: 63214-57-3 Molecular Formula: C10H18N2O2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD03372501 InChI Key: UVDVXQHUTBCRKT-UHFFFAOYSA-N Synonym: 4-piperidine-4-carbonyl morpholine,morpholino piperidin-4-yl methanone,4-piperidin-4-ylcarbonyl morpholine,morpholin-4-yl piperidin-4-yl methanone,4-4-piperidinylcarbonyl morpholine,morpholin-4-yl-piperidin-4-yl-methanone,morpholin-4-yl 4-piperidyl ketone,4-piperidin-4-yl carbonyl morpholine,methanone, 4-morpholinyl-4-piperidinyl PubChem CID: 1520211 SMILES: O=C(C1CCNCC1)N1CCOCC1
| PubChem CID | 1520211 |
|---|---|
| CAS | 63214-57-3 |
| Molecular Weight (g/mol) | 198.27 |
| MDL Number | MFCD03372501 |
| SMILES | O=C(C1CCNCC1)N1CCOCC1 |
| Synonym | 4-piperidine-4-carbonyl morpholine,morpholino piperidin-4-yl methanone,4-piperidin-4-ylcarbonyl morpholine,morpholin-4-yl piperidin-4-yl methanone,4-4-piperidinylcarbonyl morpholine,morpholin-4-yl-piperidin-4-yl-methanone,morpholin-4-yl 4-piperidyl ketone,4-piperidin-4-yl carbonyl morpholine,methanone, 4-morpholinyl-4-piperidinyl |
| InChI Key | UVDVXQHUTBCRKT-UHFFFAOYSA-N |
| Molecular Formula | C10H18N2O2 |
4-Aminopiperidine, 95%
CAS: 13035-19-3 Molecular Formula: C5H12N2 Molecular Weight (g/mol): 100.16 MDL Number: MFCD02179399 InChI Key: BCIIMDOZSUCSEN-UHFFFAOYSA-N Synonym: 4-aminopiperidine,4-piperidinamine,4-piperidineamine,piperidin-4-ylamine,4-amino piperidine,4-piperidylamine,4-piperidinamine dihydrochloride,pperdn-4-amne,4-amino,4-amino-piperidine PubChem CID: 424361 IUPAC Name: piperidin-4-amine SMILES: C1CNCCC1N
| PubChem CID | 424361 |
|---|---|
| CAS | 13035-19-3 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD02179399 |
| SMILES | C1CNCCC1N |
| Synonym | 4-aminopiperidine,4-piperidinamine,4-piperidineamine,piperidin-4-ylamine,4-amino piperidine,4-piperidylamine,4-piperidinamine dihydrochloride,pperdn-4-amne,4-amino,4-amino-piperidine |
| IUPAC Name | piperidin-4-amine |
| InChI Key | BCIIMDOZSUCSEN-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2 |
2-(Propylthio)nicotinic acid, 97%, Thermo Scientific™
CAS: 175135-22-5 Molecular Formula: C9H10NO2S Molecular Weight (g/mol): 196.24 MDL Number: MFCD00051682 InChI Key: CSMDLVRDBYKTAH-UHFFFAOYSA-M Synonym: 2-propylthio nicotinic acid,2-n-propylthio nicotinic acid,2-propylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-propylthio,2-propylthiopyridine-3-carboxylic acid,maybridge1_001579,2-prop-1-ylsulphanyl pyridine-3-carboxylic acid,2-propylsulfanyl-nicotinic acid PubChem CID: 2774526 IUPAC Name: 2-propylsulfanylpyridine-3-carboxylic acid SMILES: CCCSC1=NC=CC=C1C([O-])=O
| PubChem CID | 2774526 |
|---|---|
| CAS | 175135-22-5 |
| Molecular Weight (g/mol) | 196.24 |
| MDL Number | MFCD00051682 |
| SMILES | CCCSC1=NC=CC=C1C([O-])=O |
| Synonym | 2-propylthio nicotinic acid,2-n-propylthio nicotinic acid,2-propylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-propylthio,2-propylthiopyridine-3-carboxylic acid,maybridge1_001579,2-prop-1-ylsulphanyl pyridine-3-carboxylic acid,2-propylsulfanyl-nicotinic acid |
| IUPAC Name | 2-propylsulfanylpyridine-3-carboxylic acid |
| InChI Key | CSMDLVRDBYKTAH-UHFFFAOYSA-M |
| Molecular Formula | C9H10NO2S |
2-Chloro-4-hydroxypyridine, 95%, Thermo Scientific Chemicals
CAS: 17368-12-6 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.543 MDL Number: MFCD01646108 InChI Key: VBEHFOMFHUQAOW-UHFFFAOYSA-N Synonym: 2-chloro-4-hydroxypyridine,2-chloropyridin-4-ol,2-chloro-4-pyridinol,4-pyridinol, 2-chloro,2-chlorpyridin-4-ol,4 1h-pyridinone, 2-chloro,pubchem2578,acmc-1btyf,4-hydroxy-2-chloropyridine PubChem CID: 87010 IUPAC Name: 2-chloro-1H-pyridin-4-one SMILES: C1=CNC(=CC1=O)Cl
| PubChem CID | 87010 |
|---|---|
| CAS | 17368-12-6 |
| Molecular Weight (g/mol) | 129.543 |
| MDL Number | MFCD01646108 |
| SMILES | C1=CNC(=CC1=O)Cl |
| Synonym | 2-chloro-4-hydroxypyridine,2-chloropyridin-4-ol,2-chloro-4-pyridinol,4-pyridinol, 2-chloro,2-chlorpyridin-4-ol,4 1h-pyridinone, 2-chloro,pubchem2578,acmc-1btyf,4-hydroxy-2-chloropyridine |
| IUPAC Name | 2-chloro-1H-pyridin-4-one |
| InChI Key | VBEHFOMFHUQAOW-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO |
3-Thien-3-ylaniline, ≥97%, Thermo Scientific™
CAS: 161886-96-0 Molecular Formula: C10H9NS Molecular Weight (g/mol): 175.25 MDL Number: MFCD06740169 InChI Key: SHUODWYRFVFGOA-UHFFFAOYSA-N Synonym: 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl PubChem CID: 4130337 SMILES: NC1=CC=CC(=C1)C1=CSC=C1
| PubChem CID | 4130337 |
|---|---|
| CAS | 161886-96-0 |
| Molecular Weight (g/mol) | 175.25 |
| MDL Number | MFCD06740169 |
| SMILES | NC1=CC=CC(=C1)C1=CSC=C1 |
| Synonym | 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl |
| InChI Key | SHUODWYRFVFGOA-UHFFFAOYSA-N |
| Molecular Formula | C10H9NS |