Organoheterocyclic compounds
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2,6-Diaminopyridine, 98%
CAS: 141-86-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006329 InChI Key: VHNQIURBCCNWDN-UHFFFAOYSA-N Synonym: 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 PubChem CID: 8861 IUPAC Name: pyridine-2,6-diamine SMILES: C1=CC(=NC(=C1)N)N
| PubChem CID | 8861 |
|---|---|
| CAS | 141-86-6 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006329 |
| SMILES | C1=CC(=NC(=C1)N)N |
| Synonym | 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 |
| IUPAC Name | pyridine-2,6-diamine |
| InChI Key | VHNQIURBCCNWDN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Glutaric anhydride, 98%
CAS: 108-55-4 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00006679 InChI Key: VANNPISTIUFMLH-UHFFFAOYSA-N Synonym: glutaric anhydride,dihydro-2h-pyran-2,6 3h-dione,glutaric acid anhydride,pentanedioic anhydride,pyroglutaric acid,2h-pyran-2,6 3h-dione, dihydro,pentanedioic acid anhydride,anhydrid kyseliny glutarove,unii-63ofi15s80,anhydrid kyseliny glutarove czech PubChem CID: 7940 IUPAC Name: oxane-2,6-dione SMILES: C1CC(=O)OC(=O)C1
| PubChem CID | 7940 |
|---|---|
| CAS | 108-55-4 |
| Molecular Weight (g/mol) | 114.1 |
| MDL Number | MFCD00006679 |
| SMILES | C1CC(=O)OC(=O)C1 |
| Synonym | glutaric anhydride,dihydro-2h-pyran-2,6 3h-dione,glutaric acid anhydride,pentanedioic anhydride,pyroglutaric acid,2h-pyran-2,6 3h-dione, dihydro,pentanedioic acid anhydride,anhydrid kyseliny glutarove,unii-63ofi15s80,anhydrid kyseliny glutarove czech |
| IUPAC Name | oxane-2,6-dione |
| InChI Key | VANNPISTIUFMLH-UHFFFAOYSA-N |
| Molecular Formula | C5H6O3 |
2-Fluoro-4-(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 118078-66-3 Molecular Formula: C6H3F4N Molecular Weight (g/mol): 165.091 MDL Number: MFCD09879262 InChI Key: DFNQBXZKPUBEIX-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl pyridine,2-fluoro-4-trifluoromethyl-pyridine,pyridine, 2-fluoro-4-trifluoromethyl,pubchem23563,acmc-1c7kk,2-fluoranyl-4-trifluoromethyl pyridine PubChem CID: 11159514 IUPAC Name: 2-fluoro-4-(trifluoromethyl)pyridine SMILES: C1=CN=C(C=C1C(F)(F)F)F
| PubChem CID | 11159514 |
|---|---|
| CAS | 118078-66-3 |
| Molecular Weight (g/mol) | 165.091 |
| MDL Number | MFCD09879262 |
| SMILES | C1=CN=C(C=C1C(F)(F)F)F |
| Synonym | 2-fluoro-4-trifluoromethyl pyridine,2-fluoro-4-trifluoromethyl-pyridine,pyridine, 2-fluoro-4-trifluoromethyl,pubchem23563,acmc-1c7kk,2-fluoranyl-4-trifluoromethyl pyridine |
| IUPAC Name | 2-fluoro-4-(trifluoromethyl)pyridine |
| InChI Key | DFNQBXZKPUBEIX-UHFFFAOYSA-N |
| Molecular Formula | C6H3F4N |
Xanthine, 98%
CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
| PubChem CID | 1188 |
|---|---|
| CAS | 69-89-6 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:17712 |
| MDL Number | MFCD00078453 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| Synonym | xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
Pyrrole-3-carboxylic acid, 98+%
CAS: 931-03-3 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00800594 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: pyrrole-3-carboxylic acid,pyrrole-3-carboxylicacid,3-carboxy-1h-pyrrole,1h-pyrrole-3-carboxylicacid,pubchem8345,3-carboxypyrrole,3-pyrrolecarboxylic acid,acmc-1agqb,3-pyrrole-carboxylic acid,pyrrole 3-carboxylic acid PubChem CID: 101030 ChEBI: CHEBI:68076 IUPAC Name: 1H-pyrrole-3-carboxylic acid SMILES: C1=CNC=C1C(=O)O
| PubChem CID | 101030 |
|---|---|
| CAS | 931-03-3 |
| Molecular Weight (g/mol) | 111.1 |
| ChEBI | CHEBI:68076 |
| MDL Number | MFCD00800594 |
| SMILES | C1=CNC=C1C(=O)O |
| Synonym | pyrrole-3-carboxylic acid,pyrrole-3-carboxylicacid,3-carboxy-1h-pyrrole,1h-pyrrole-3-carboxylicacid,pubchem8345,3-carboxypyrrole,3-pyrrolecarboxylic acid,acmc-1agqb,3-pyrrole-carboxylic acid,pyrrole 3-carboxylic acid |
| IUPAC Name | 1H-pyrrole-3-carboxylic acid |
| InChI Key | DOYOPBSXEIZLRE-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Furan-3-boronic acid, 97%
CAS: 55552-70-0 Molecular Formula: C4H5BO3 Molecular Weight (g/mol): 111.89 MDL Number: MFCD01319007 InChI Key: CYEFKCRAAGLNHW-UHFFFAOYSA-N Synonym: furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl PubChem CID: 2734358 IUPAC Name: furan-3-ylboronic acid SMILES: OB(O)C1=COC=C1
| PubChem CID | 2734358 |
|---|---|
| CAS | 55552-70-0 |
| Molecular Weight (g/mol) | 111.89 |
| MDL Number | MFCD01319007 |
| SMILES | OB(O)C1=COC=C1 |
| Synonym | furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl |
| IUPAC Name | furan-3-ylboronic acid |
| InChI Key | CYEFKCRAAGLNHW-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO3 |
Isoquinoline, 97%
CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1
| PubChem CID | 8405 |
|---|---|
| CAS | 119-65-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:16092 |
| MDL Number | MFCD00006898,MFCD31699977 |
| SMILES | C1=CC=C2C=NC=CC2=C1 |
| Synonym | 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech |
| IUPAC Name | isoquinoline |
| InChI Key | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
Thermo Scientific Chemicals Adenine sulfate, 98+%
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 9449 |
|---|---|
| CAS | 321-30-2 |
| Molecular Weight (g/mol) | 368.33 |
| MDL Number | MFCD00213655 |
| SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m |
| IUPAC Name | 7H-purin-6-amine;sulfuric acid |
| InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
| Molecular Formula | C10H12N10O4S |
4-Bromoisophthalic acid, 96%
CAS: 6939-93-1 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00002404 InChI Key: MSQIEZXCNYUWHN-UHFFFAOYSA-N Synonym: 4-bromoisophthalic acid,1,3-benzenedicarboxylic acid, 4-bromo,4-bromoisophthalicacid,4-bromo-1,3-benzenedicarboxylic acid,2-bromobenzene-1,5-dicarboxylic acid,pubchem12479,chemwish ic03530,ksc354c4d,msqiezxcnyuwhn-uhfffaoysa PubChem CID: 81361 IUPAC Name: 4-bromobenzene-1,3-dicarboxylic acid SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)Br
| PubChem CID | 81361 |
|---|---|
| CAS | 6939-93-1 |
| Molecular Weight (g/mol) | 245.028 |
| MDL Number | MFCD00002404 |
| SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)Br |
| Synonym | 4-bromoisophthalic acid,1,3-benzenedicarboxylic acid, 4-bromo,4-bromoisophthalicacid,4-bromo-1,3-benzenedicarboxylic acid,2-bromobenzene-1,5-dicarboxylic acid,pubchem12479,chemwish ic03530,ksc354c4d,msqiezxcnyuwhn-uhfffaoysa |
| IUPAC Name | 4-bromobenzene-1,3-dicarboxylic acid |
| InChI Key | MSQIEZXCNYUWHN-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO4 |
4-Vinylpyridine, 95%, stabilized
CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1
| PubChem CID | 7502 |
|---|---|
| CAS | 100-43-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006447 |
| SMILES | C=CC1=CC=NC=C1 |
| Synonym | 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine |
| IUPAC Name | 4-ethenylpyridine |
| InChI Key | KFDVPJUYSDEJTH-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
3-Isobutyl-1-Methylxanthine, MP Biomedicals™
CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
| PubChem CID | 3758 |
|---|---|
| CAS | 28822-58-4 |
| Molecular Weight (g/mol) | 222.25 |
| ChEBI | CHEBI:43253 |
| MDL Number | MFCD00005584 |
| SMILES | CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O |
| Synonym | 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine |
| IUPAC Name | 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O2 |
8-Hydroxyquinoline sulfate monohydrate, 98%
CAS: 207386-91-2 Molecular Formula: 0·5 H2O Molecular Weight (g/mol): 203.2 MDL Number: MFCD00149610 InChI Key: BNCXJZDIJIVJJO-UHFFFAOYSA-N Synonym: 8-quinolinol hemisulfate,8-quinolinol hemisulfate hemihydrate,8-hydroxyquinoline hemisulfate salt hemihydrate,quinolin-8-ol; sulfuric acid; hydrate,quinolin-8-ol sulfate hydrate 2:1:1,8-hydroxyquinoline sulfate,8-quinolinol sulfate 2:1 monohydrate,8-quinolinol, sulfate, hydrate 2:1:1,8-quinolinol hemisulfate salt hemihydrate, pestanal r , analytical standard
| CAS | 207386-91-2 |
|---|---|
| Molecular Weight (g/mol) | 203.2 |
| MDL Number | MFCD00149610 |
| Synonym | 8-quinolinol hemisulfate,8-quinolinol hemisulfate hemihydrate,8-hydroxyquinoline hemisulfate salt hemihydrate,quinolin-8-ol; sulfuric acid; hydrate,quinolin-8-ol sulfate hydrate 2:1:1,8-hydroxyquinoline sulfate,8-quinolinol sulfate 2:1 monohydrate,8-quinolinol, sulfate, hydrate 2:1:1,8-quinolinol hemisulfate salt hemihydrate, pestanal r , analytical standard |
| InChI Key | BNCXJZDIJIVJJO-UHFFFAOYSA-N |
| Molecular Formula | 0·5 H2O |
Benzimidazole, 98%
CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 IUPAC Name: 1H-benzimidazole SMILES: N1C=NC2=CC=CC=C12
| PubChem CID | 5798 |
|---|---|
| CAS | 51-17-2 |
| Molecular Weight (g/mol) | 118.14 |
| ChEBI | CHEBI:41275 |
| MDL Number | MFCD00005585 |
| SMILES | N1C=NC2=CC=CC=C12 |
| Synonym | benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene |
| IUPAC Name | 1H-benzimidazole |
| InChI Key | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
6-Bromo-2-picoline, 97%
CAS: 5315-25-3 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00040743 InChI Key: SOHDPICLICFSOP-UHFFFAOYSA-N Synonym: 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine PubChem CID: 79205 IUPAC Name: 2-bromo-6-methylpyridine SMILES: CC1=CC=CC(Br)=N1
| PubChem CID | 79205 |
|---|---|
| CAS | 5315-25-3 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00040743 |
| SMILES | CC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine |
| IUPAC Name | 2-bromo-6-methylpyridine |
| InChI Key | SOHDPICLICFSOP-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
delta-Valerolactone, 99%
CAS: 542-28-9 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00006645 InChI Key: OZJPLYNZGCXSJM-UHFFFAOYSA-N Synonym: delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one PubChem CID: 10953 ChEBI: CHEBI:16545 IUPAC Name: oxan-2-one SMILES: O=C1CCCCO1
| PubChem CID | 10953 |
|---|---|
| CAS | 542-28-9 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:16545 |
| MDL Number | MFCD00006645 |
| SMILES | O=C1CCCCO1 |
| Synonym | delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one |
| IUPAC Name | oxan-2-one |
| InChI Key | OZJPLYNZGCXSJM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |