Organoheterocyclic compounds
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6-Methyl-4-trifluoromethyl-2(1H)-pyridone, 97%
CAS: 22123-19-9 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00042479 InChI Key: CDRMKCNOGIBXOG-UHFFFAOYSA-N Synonym: 6-methyl-4-trifluoromethyl pyridin-2 1h-one,6-methyl-4-trifluoromethyl-2 1h-pyridinone,6-methyl-4-trifluoromethyl pyridin-2-ol,6-methyl-4-trifluoromethyl-1h-pyridin-2-one,6-methyl-4-trifluoromethyl-2 1h-pyridone,2 1h-pyridinone,6-methyl-4-trifluoromethyl,2-hydroxy-6-methyl-4-trifluoromethyl pyridine,6-methyl-4-trifluoromethyl-1,2-dihydropyridin-2-one,6-methyl-4-trifluoromethyl hydropyridin-2-one,acmc-1cb5l PubChem CID: 2782992 IUPAC Name: 6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one SMILES: CC1=CC(=CC(=O)N1)C(F)(F)F
| PubChem CID | 2782992 |
|---|---|
| CAS | 22123-19-9 |
| Molecular Weight (g/mol) | 177.126 |
| MDL Number | MFCD00042479 |
| SMILES | CC1=CC(=CC(=O)N1)C(F)(F)F |
| Synonym | 6-methyl-4-trifluoromethyl pyridin-2 1h-one,6-methyl-4-trifluoromethyl-2 1h-pyridinone,6-methyl-4-trifluoromethyl pyridin-2-ol,6-methyl-4-trifluoromethyl-1h-pyridin-2-one,6-methyl-4-trifluoromethyl-2 1h-pyridone,2 1h-pyridinone,6-methyl-4-trifluoromethyl,2-hydroxy-6-methyl-4-trifluoromethyl pyridine,6-methyl-4-trifluoromethyl-1,2-dihydropyridin-2-one,6-methyl-4-trifluoromethyl hydropyridin-2-one,acmc-1cb5l |
| IUPAC Name | 6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one |
| InChI Key | CDRMKCNOGIBXOG-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
Pentadecanolide, 98%
CAS: 106-02-5 Molecular Formula: C15H28O2 Molecular Weight (g/mol): 240.387 MDL Number: MFCD00039667 InChI Key: FKUPPRZPSYCDRS-UHFFFAOYSA-N Synonym: cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone PubChem CID: 235414 IUPAC Name: oxacyclohexadecan-2-one SMILES: C1CCCCCCCOC(=O)CCCCCC1
| PubChem CID | 235414 |
|---|---|
| CAS | 106-02-5 |
| Molecular Weight (g/mol) | 240.387 |
| MDL Number | MFCD00039667 |
| SMILES | C1CCCCCCCOC(=O)CCCCCC1 |
| Synonym | cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone |
| IUPAC Name | oxacyclohexadecan-2-one |
| InChI Key | FKUPPRZPSYCDRS-UHFFFAOYSA-N |
| Molecular Formula | C15H28O2 |
5-Nitrouracil, 98+%
CAS: 611-08-5 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.09 MDL Number: MFCD00006021 InChI Key: TUARVSWVPPVUGS-UHFFFAOYSA-N Synonym: 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine PubChem CID: 69135 ChEBI: CHEBI:60763 IUPAC Name: 5-nitro-1H-pyrimidine-2,4-dione SMILES: [O-][N+](=O)C1=CNC(=O)NC1=O
| PubChem CID | 69135 |
|---|---|
| CAS | 611-08-5 |
| Molecular Weight (g/mol) | 157.09 |
| ChEBI | CHEBI:60763 |
| MDL Number | MFCD00006021 |
| SMILES | [O-][N+](=O)C1=CNC(=O)NC1=O |
| Synonym | 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine |
| IUPAC Name | 5-nitro-1H-pyrimidine-2,4-dione |
| InChI Key | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| Molecular Formula | C4H3N3O4 |
5-(Chloromethyl)uracil, 97%
CAS: 3590-48-5 Molecular Formula: C5H5ClN2O2 Molecular Weight (g/mol): 160.56 MDL Number: MFCD00218445 InChI Key: UCDUBKRXOPMNGH-UHFFFAOYSA-N Synonym: 5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg PubChem CID: 236125 SMILES: ClCC1=CNC(=O)NC1=O
| PubChem CID | 236125 |
|---|---|
| CAS | 3590-48-5 |
| Molecular Weight (g/mol) | 160.56 |
| MDL Number | MFCD00218445 |
| SMILES | ClCC1=CNC(=O)NC1=O |
| Synonym | 5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg |
| InChI Key | UCDUBKRXOPMNGH-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O2 |
3-Hydroxy-5-methylisoxazole, 97%
CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1
| PubChem CID | 24781 |
|---|---|
| CAS | 10004-44-1 |
| Molecular Weight (g/mol) | 99.089 |
| ChEBI | CHEBI:5827 |
| MDL Number | MFCD00144468 |
| SMILES | CC1=CC(=O)NO1 |
| Synonym | hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone |
| IUPAC Name | 5-methyl-1,2-oxazol-3-one |
| InChI Key | KGVPNLBXJKTABS-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
2-Fluoropyridine-4-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 402-65-3 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD02181194 InChI Key: JMPFWDWYGOWUFP-UHFFFAOYSA-N Synonym: 2-fluoroisonicotinic acid,2-fluoro-4-pyridinecarboxylic acid,2-fluoro-isonicotinic acid,4-pyridinecarboxylic acid, 2-fluoro,2-fluoroisonicotinicacid,2-fluoro-4-carboxypyridine,2-fluoro-4-pyridinylcarboxylic acid,2-fluoropyridine-4-carboxylicacid,pubchem2998,pubchem3548 PubChem CID: 345360 IUPAC Name: 2-fluoropyridine-4-carboxylic acid SMILES: OC(=O)C1=CC=NC(F)=C1
| PubChem CID | 345360 |
|---|---|
| CAS | 402-65-3 |
| Molecular Weight (g/mol) | 141.10 |
| MDL Number | MFCD02181194 |
| SMILES | OC(=O)C1=CC=NC(F)=C1 |
| Synonym | 2-fluoroisonicotinic acid,2-fluoro-4-pyridinecarboxylic acid,2-fluoro-isonicotinic acid,4-pyridinecarboxylic acid, 2-fluoro,2-fluoroisonicotinicacid,2-fluoro-4-carboxypyridine,2-fluoro-4-pyridinylcarboxylic acid,2-fluoropyridine-4-carboxylicacid,pubchem2998,pubchem3548 |
| IUPAC Name | 2-fluoropyridine-4-carboxylic acid |
| InChI Key | JMPFWDWYGOWUFP-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO2 |
2-Methyl-1-pyrroline, Thermo Scientific Chemicals
CAS: 872-32-2 Molecular Formula: C5H10N Molecular Weight (g/mol): 84.14 MDL Number: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC Name: 5-methyl-3,4-dihydro-2H-pyrrole SMILES: C[C+]1CCCN1
| PubChem CID | 70103 |
|---|---|
| CAS | 872-32-2 |
| Molecular Weight (g/mol) | 84.14 |
| ChEBI | CHEBI:78856 |
| MDL Number | MFCD00128806 |
| SMILES | C[C+]1CCCN1 |
| Synonym | 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 |
| IUPAC Name | 5-methyl-3,4-dihydro-2H-pyrrole |
| InChI Key | OZLJZWIVBYLSOK-UHFFFAOYSA-N |
| Molecular Formula | C5H10N |
4,6-Dihydroxy-2-methylpyrimidine, 99%
CAS: 40497-30-1 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006104,MFCD00205627,MFCD20486784 InChI Key: BPSGVKFIQZZFNH-UHFFFAOYSA-N Synonym: 4,6-dihydroxy-2-methylpyrimidine,2-methylpyrimidine-4,6-diol,2-methyl-4,6-dihydroxypyrimidine,2-methyl-4,6-pyrimidinediol,2-methyl-1h,5h-pyrimidine-4,5-dione,4 1h-pyrimidinone, 6-hydroxy-2-methyl,2-methyl-4,6-dihydroxy pyrimidine,6-hydroxy-2-methyl-3h-pyrimidin-4-one,6-hydroxy-2-methylpyrimidin-4 3h-one,6-hydroxy-2-methyl-3,4-dihydropyrimidin-4-one PubChem CID: 222672 IUPAC Name: 4-hydroxy-2-methyl-1H-pyrimidin-6-one SMILES: CC1=NC(O)=CC(=O)N1
| PubChem CID | 222672 |
|---|---|
| CAS | 40497-30-1 |
| Molecular Weight (g/mol) | 126.12 |
| MDL Number | MFCD00006104,MFCD00205627,MFCD20486784 |
| SMILES | CC1=NC(O)=CC(=O)N1 |
| Synonym | 4,6-dihydroxy-2-methylpyrimidine,2-methylpyrimidine-4,6-diol,2-methyl-4,6-dihydroxypyrimidine,2-methyl-4,6-pyrimidinediol,2-methyl-1h,5h-pyrimidine-4,5-dione,4 1h-pyrimidinone, 6-hydroxy-2-methyl,2-methyl-4,6-dihydroxy pyrimidine,6-hydroxy-2-methyl-3h-pyrimidin-4-one,6-hydroxy-2-methylpyrimidin-4 3h-one,6-hydroxy-2-methyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 4-hydroxy-2-methyl-1H-pyrimidin-6-one |
| InChI Key | BPSGVKFIQZZFNH-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
6-Aminonicotinic acid, 98%
CAS: 3167-49-5 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00006326 InChI Key: ZCIFWRHIEBXBOY-UHFFFAOYSA-N Synonym: 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid PubChem CID: 18496 ChEBI: CHEBI:68583 IUPAC Name: 6-aminopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)N
| PubChem CID | 18496 |
|---|---|
| CAS | 3167-49-5 |
| Molecular Weight (g/mol) | 138.126 |
| ChEBI | CHEBI:68583 |
| MDL Number | MFCD00006326 |
| SMILES | C1=CC(=NC=C1C(=O)O)N |
| Synonym | 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid |
| IUPAC Name | 6-aminopyridine-3-carboxylic acid |
| InChI Key | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
2-Amino-3,5-dibromopyridine, 97%
CAS: 35486-42-1 Molecular Formula: C5H4Br2N2 Molecular Weight (g/mol): 251.909 MDL Number: MFCD00038041 InChI Key: WJMJWMSWJSACSN-UHFFFAOYSA-N Synonym: 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 PubChem CID: 98851 IUPAC Name: 3,5-dibromopyridin-2-amine SMILES: C1=C(C=NC(=C1Br)N)Br
| PubChem CID | 98851 |
|---|---|
| CAS | 35486-42-1 |
| Molecular Weight (g/mol) | 251.909 |
| MDL Number | MFCD00038041 |
| SMILES | C1=C(C=NC(=C1Br)N)Br |
| Synonym | 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 |
| IUPAC Name | 3,5-dibromopyridin-2-amine |
| InChI Key | WJMJWMSWJSACSN-UHFFFAOYSA-N |
| Molecular Formula | C5H4Br2N2 |
1-Phenylpiperazine, 98+%
CAS: 92-54-6 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 MDL Number: MFCD00005957 InChI Key: YZTJYBJCZXZGCT-UHFFFAOYSA-N Synonym: phenylpiperazine,n-phenylpiperazine,piperazine, 1-phenyl,1-phenyl-piperazine,n-phenyldiethylenediamine,1-fenylpiperazin czech,unii-j9225cbi7d,n-phenyl piperazine,1-phenyl piperazine,ccris 4334 PubChem CID: 7096 IUPAC Name: 1-phenylpiperazine SMILES: C1CN(CCN1)C2=CC=CC=C2
| PubChem CID | 7096 |
|---|---|
| CAS | 92-54-6 |
| Molecular Weight (g/mol) | 162.236 |
| MDL Number | MFCD00005957 |
| SMILES | C1CN(CCN1)C2=CC=CC=C2 |
| Synonym | phenylpiperazine,n-phenylpiperazine,piperazine, 1-phenyl,1-phenyl-piperazine,n-phenyldiethylenediamine,1-fenylpiperazin czech,unii-j9225cbi7d,n-phenyl piperazine,1-phenyl piperazine,ccris 4334 |
| IUPAC Name | 1-phenylpiperazine |
| InChI Key | YZTJYBJCZXZGCT-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2 |
3,5-Dimethylisoxazole, 99%
CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C
| PubChem CID | 9312 |
|---|---|
| CAS | 300-87-8 |
| Molecular Weight (g/mol) | 97.117 |
| MDL Number | MFCD00003156 |
| SMILES | CC1=CC(=NO1)C |
| Synonym | 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole |
| InChI Key | FICAQKBMCKEFDI-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO |
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 |
3-Bromo-2,5-dichlorothiophene, 97%
CAS: 60404-18-4 Molecular Formula: C4HBrCl2S Molecular Weight (g/mol): 231.92 MDL Number: MFCD00041440 InChI Key: PBUHOXBSIQJRNO-UHFFFAOYSA-N PubChem CID: 521925 IUPAC Name: 3-bromo-2,5-dichlorothiophene SMILES: ClC1=CC(Br)=C(Cl)S1
| PubChem CID | 521925 |
|---|---|
| CAS | 60404-18-4 |
| Molecular Weight (g/mol) | 231.92 |
| MDL Number | MFCD00041440 |
| SMILES | ClC1=CC(Br)=C(Cl)S1 |
| IUPAC Name | 3-bromo-2,5-dichlorothiophene |
| InChI Key | PBUHOXBSIQJRNO-UHFFFAOYSA-N |
| Molecular Formula | C4HBrCl2S |
Melatonin, MP Biomedicals
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
| PubChem CID | 896 |
|---|---|
| CAS | 73-31-4 |
| Molecular Weight (g/mol) | 232.283 |
| ChEBI | CHEBI:16796 |
| MDL Number | MFCD00005655 |
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| Synonym | melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine |
| IUPAC Name | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |