Organoheterocyclic compounds
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(S)-N-BOC-Prolinal, 97%
CAS: 69610-41-9 Molecular Formula: C10H17NO3 Molecular Weight (g/mol): 199.25 MDL Number: MFCD00274186,MFCD00801206 InChI Key: YDBPZCVWPFMBDH-QMMMGPOBSA-N Synonym: n-boc-l-prolinal,boc-l-prolinal,s-1-boc-2-formylpyrrolidine,s-tert-butyl 2-formylpyrrolidine-1-carboxylate,tert-butyl 2s-2-formylpyrrolidine-1-carboxylate,boc-prolinal,n-tert-butoxycarbonyl-l-prolinal,s-n-tert-butoxycarbonyl-2-formylpyrrolidine,1-pyrrolidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, 2s,n-boc-prolinal PubChem CID: 2734674 IUPAC Name: tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C=O
| PubChem CID | 2734674 |
|---|---|
| CAS | 69610-41-9 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD00274186,MFCD00801206 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C=O |
| Synonym | n-boc-l-prolinal,boc-l-prolinal,s-1-boc-2-formylpyrrolidine,s-tert-butyl 2-formylpyrrolidine-1-carboxylate,tert-butyl 2s-2-formylpyrrolidine-1-carboxylate,boc-prolinal,n-tert-butoxycarbonyl-l-prolinal,s-n-tert-butoxycarbonyl-2-formylpyrrolidine,1-pyrrolidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, 2s,n-boc-prolinal |
| IUPAC Name | tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate |
| InChI Key | YDBPZCVWPFMBDH-QMMMGPOBSA-N |
| Molecular Formula | C10H17NO3 |
2,6-Dichloro-3-nitropyridine, 90%, Tech.
CAS: 16013-85-7 Molecular Formula: C5H2Cl2N2O2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00006234 InChI Key: SHCWQWRTKPNTEM-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-nitro-pyridine,pyridine, 2,6-dichloro-3-nitro,3-nitro-2,6-dichloropyridine,2,6-dichloro-3-nitro pyridine,zlchem 223,pubchem9234,acmc-209dko,2,6-dichloronitropyridine,dichloronitropyridine,ksc174q3n PubChem CID: 85239 IUPAC Name: 2,6-dichloro-3-nitropyridine SMILES: C1=CC(=NC(=C1[N+](=O)[O-])Cl)Cl
| PubChem CID | 85239 |
|---|---|
| CAS | 16013-85-7 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00006234 |
| SMILES | C1=CC(=NC(=C1[N+](=O)[O-])Cl)Cl |
| Synonym | 2,6-dichloro-3-nitro-pyridine,pyridine, 2,6-dichloro-3-nitro,3-nitro-2,6-dichloropyridine,2,6-dichloro-3-nitro pyridine,zlchem 223,pubchem9234,acmc-209dko,2,6-dichloronitropyridine,dichloronitropyridine,ksc174q3n |
| IUPAC Name | 2,6-dichloro-3-nitropyridine |
| InChI Key | SHCWQWRTKPNTEM-UHFFFAOYSA-N |
| Molecular Formula | C5H2Cl2N2O2 |
Theophylline-7-acetic acid, 98%
CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
| PubChem CID | 69550 |
|---|---|
| CAS | 652-37-9 |
| Molecular Weight (g/mol) | 260.19 |
| MDL Number | MFCD00022832 |
| SMILES | [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O |
| Synonym | acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid |
| IUPAC Name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid |
| InChI Key | MSFVZSOKOXZSME-UHFFFAOYSA-M |
| Molecular Formula | C9H9N4NaO4 |
Imidazole, Reagent, 99%, Spectrum™ Chemical
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CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
| CAS | 288-32-4 |
|---|---|
| Molecular Weight (g/mol) | 68.08 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
2-Bromopyridine-4-boronic acid, 95%, Thermo Scientific Chemicals
CAS: 458532-94-0 Molecular Formula: C5H5BBrNO2 Molecular Weight (g/mol): 201.81 MDL Number: MFCD06798244 InChI Key: DFIKFQMGZNTFLI-UHFFFAOYSA-N Synonym: 2-bromopyridine-4-boronic acid,2-bromopyridin-4-yl boronic acid,boronic acid, 2-bromo-4-pyridinyl-9ci,2-bromo-4-pyridyl boronic acid,2-bromo-4-pyridineboronic acid,boronicacid, 2-bromo-4-pyridinyl-9ci,acmc-209k4o,ksc234s1f,2-bromo-4-pyridinyl boronic acid,2-bromanylpyridin-4-yl boronic acid PubChem CID: 12060162 IUPAC Name: (2-bromopyridin-4-yl)boronic acid SMILES: OB(O)C1=CC(Br)=NC=C1
| PubChem CID | 12060162 |
|---|---|
| CAS | 458532-94-0 |
| Molecular Weight (g/mol) | 201.81 |
| MDL Number | MFCD06798244 |
| SMILES | OB(O)C1=CC(Br)=NC=C1 |
| Synonym | 2-bromopyridine-4-boronic acid,2-bromopyridin-4-yl boronic acid,boronic acid, 2-bromo-4-pyridinyl-9ci,2-bromo-4-pyridyl boronic acid,2-bromo-4-pyridineboronic acid,boronicacid, 2-bromo-4-pyridinyl-9ci,acmc-209k4o,ksc234s1f,2-bromo-4-pyridinyl boronic acid,2-bromanylpyridin-4-yl boronic acid |
| IUPAC Name | (2-bromopyridin-4-yl)boronic acid |
| InChI Key | DFIKFQMGZNTFLI-UHFFFAOYSA-N |
| Molecular Formula | C5H5BBrNO2 |
Ethyl 2-hydroxy-6-methylpyridine-4-carboxylate, 97%
CAS: 150190-03-7 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 MDL Number: MFCD09953494 InChI Key: WZUAZSMUJJUHMM-UHFFFAOYSA-N Synonym: ethyl 2-hydroxy-6-methylisonicotinate,ethyl 2-hydroxy-6-methylpyridine-4-carboxylate,ethyl 6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate,4-pyridinecarboxylicacid, 1,2-dihydro-6-methyl-2-oxo-, ethyl ester,acmc-20edky,2-hydroxy-6-methylpyridine-4-carboxylic acid ethyl ester,2-methyl-6-oxo-1h-pyridine-4-carboxylic acid ethyl ester,ethyl 2-methyl-6-oxidanylidene-1h-pyridine-4-carboxylate PubChem CID: 12089326 IUPAC Name: ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate SMILES: CCOC(=O)C1=CC(=O)NC(=C1)C
| PubChem CID | 12089326 |
|---|---|
| CAS | 150190-03-7 |
| Molecular Weight (g/mol) | 181.191 |
| MDL Number | MFCD09953494 |
| SMILES | CCOC(=O)C1=CC(=O)NC(=C1)C |
| Synonym | ethyl 2-hydroxy-6-methylisonicotinate,ethyl 2-hydroxy-6-methylpyridine-4-carboxylate,ethyl 6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate,4-pyridinecarboxylicacid, 1,2-dihydro-6-methyl-2-oxo-, ethyl ester,acmc-20edky,2-hydroxy-6-methylpyridine-4-carboxylic acid ethyl ester,2-methyl-6-oxo-1h-pyridine-4-carboxylic acid ethyl ester,ethyl 2-methyl-6-oxidanylidene-1h-pyridine-4-carboxylate |
| IUPAC Name | ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate |
| InChI Key | WZUAZSMUJJUHMM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
4-(1-Piperazinyl)aniline, 95%
CAS: 67455-41-8 Molecular Formula: C10H15N3 Molecular Weight (g/mol): 177.25 MDL Number: MFCD01365906 InChI Key: VAVOYRCCWLRTMS-UHFFFAOYSA-N Synonym: 4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine PubChem CID: 422925 IUPAC Name: 4-piperazin-1-ylaniline SMILES: NC1=CC=C(C=C1)N1CCNCC1
| PubChem CID | 422925 |
|---|---|
| CAS | 67455-41-8 |
| Molecular Weight (g/mol) | 177.25 |
| MDL Number | MFCD01365906 |
| SMILES | NC1=CC=C(C=C1)N1CCNCC1 |
| Synonym | 4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine |
| IUPAC Name | 4-piperazin-1-ylaniline |
| InChI Key | VAVOYRCCWLRTMS-UHFFFAOYSA-N |
| Molecular Formula | C10H15N3 |
2-(3-Chloro-4-fluorophenyl)indole, 98%
CAS: 1868-88-8 Molecular Formula: C14H9ClFN Molecular Weight (g/mol): 245.681 MDL Number: MFCD00068179 InChI Key: QNYJRNHACDLRSI-UHFFFAOYSA-N PubChem CID: 2736577 IUPAC Name: 2-(3-chloro-4-fluorophenyl)-1H-indole SMILES: C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl
| PubChem CID | 2736577 |
|---|---|
| CAS | 1868-88-8 |
| Molecular Weight (g/mol) | 245.681 |
| MDL Number | MFCD00068179 |
| SMILES | C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)-1H-indole |
| InChI Key | QNYJRNHACDLRSI-UHFFFAOYSA-N |
| Molecular Formula | C14H9ClFN |
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 97%
CAS: 269410-22-2 Molecular Formula: C13H19BO4 Molecular Weight (g/mol): 250.10 MDL Number: MFCD02093723 InChI Key: WFSJROCEOJANPD-UHFFFAOYSA-N PubChem CID: 2734650 IUPAC Name: 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: COC1=CC(=CC=C1O)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2734650 |
|---|---|
| CAS | 269410-22-2 |
| Molecular Weight (g/mol) | 250.10 |
| MDL Number | MFCD02093723 |
| SMILES | COC1=CC(=CC=C1O)B1OC(C)(C)C(C)(C)O1 |
| IUPAC Name | 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| InChI Key | WFSJROCEOJANPD-UHFFFAOYSA-N |
| Molecular Formula | C13H19BO4 |
2-Thiophenemethanol, 97%
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 IUPAC Name: thiophen-2-ylmethanol SMILES: OCC1=CC=CS1
| PubChem CID | 69467 |
|---|---|
| CAS | 636-72-6 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00005454 |
| SMILES | OCC1=CC=CS1 |
| Synonym | 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol |
| IUPAC Name | thiophen-2-ylmethanol |
| InChI Key | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
7-Bromoimidazo[1,2-a]pyridine, 95%, Thermo Scientific Chemicals
CAS: 808744-34-5 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD07778353 InChI Key: OASOJRLJBDCVNU-UHFFFAOYSA-N Synonym: 7-bromoimidazo 1,2-a pyridine,7-bromo-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 7-bromo,7-bromoh-imidazo 1,2-a pyridine,pubchem22087,acmc-209pkg,7-bromanylimidazo 1,2-a pyridine,7-bromo-imidazol 1,2-a pyridine,7-bromo-imidazo-1,2-a-pyridine PubChem CID: 15098903 IUPAC Name: 7-bromoimidazo[1,2-a]pyridine SMILES: C1=CN2C=CN=C2C=C1Br
| PubChem CID | 15098903 |
|---|---|
| CAS | 808744-34-5 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD07778353 |
| SMILES | C1=CN2C=CN=C2C=C1Br |
| Synonym | 7-bromoimidazo 1,2-a pyridine,7-bromo-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 7-bromo,7-bromoh-imidazo 1,2-a pyridine,pubchem22087,acmc-209pkg,7-bromanylimidazo 1,2-a pyridine,7-bromo-imidazol 1,2-a pyridine,7-bromo-imidazo-1,2-a-pyridine |
| IUPAC Name | 7-bromoimidazo[1,2-a]pyridine |
| InChI Key | OASOJRLJBDCVNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate, 95%
CAS: 188781-08-0 Molecular Formula: C8H9ClN2O2 Molecular Weight (g/mol): 200.622 MDL Number: MFCD03425963 InChI Key: XJNJPQSXRUJCIB-UHFFFAOYSA-N Synonym: 2-chloro-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,5-pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester,2-chloro-5-ethoxycarbonyl-4-methylpyrimidine,ethyl2-chloro-4-methylpyrimidine-5-carboxylate,2-chloro-4-methyl-5-pyrimidinecarboxylic acid ethyl ester PubChem CID: 21220624 IUPAC Name: ethyl 2-chloro-4-methylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1C)Cl
| PubChem CID | 21220624 |
|---|---|
| CAS | 188781-08-0 |
| Molecular Weight (g/mol) | 200.622 |
| MDL Number | MFCD03425963 |
| SMILES | CCOC(=O)C1=CN=C(N=C1C)Cl |
| Synonym | 2-chloro-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,5-pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester,2-chloro-5-ethoxycarbonyl-4-methylpyrimidine,ethyl2-chloro-4-methylpyrimidine-5-carboxylate,2-chloro-4-methyl-5-pyrimidinecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-chloro-4-methylpyrimidine-5-carboxylate |
| InChI Key | XJNJPQSXRUJCIB-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClN2O2 |
6-chloropurine, 99+%
CAS: 87-42-3 Molecular Formula: C5H3ClN4 Molecular Weight (g/mol): 154.56 MDL Number: MFCD00075825 InChI Key: ZKBQDFAWXLTYKS-UHFFFAOYSA-N Synonym: 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 PubChem CID: 5359277 IUPAC Name: 6-chloro-7H-purine SMILES: C1=NC2=C(N1)C(=NC=N2)Cl
| PubChem CID | 5359277 |
|---|---|
| CAS | 87-42-3 |
| Molecular Weight (g/mol) | 154.56 |
| MDL Number | MFCD00075825 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Synonym | 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 |
| IUPAC Name | 6-chloro-7H-purine |
| InChI Key | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN4 |
2-Hydroxy-5-methylpyridine, 97%
CAS: 91914-06-6 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD03092888 InChI Key: SOHMZGMHXUQHGE-UHFFFAOYSA-N Synonym: 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline PubChem CID: 70482 IUPAC Name: 5-methyl-1H-pyridin-2-one SMILES: CC1=CNC(=O)C=C1
| PubChem CID | 70482 |
|---|---|
| CAS | 91914-06-6 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD03092888 |
| SMILES | CC1=CNC(=O)C=C1 |
| Synonym | 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline |
| IUPAC Name | 5-methyl-1H-pyridin-2-one |
| InChI Key | SOHMZGMHXUQHGE-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
| CAS | 5444-01-9 |
|---|---|
| MDL Number | MFCD00234272 |