Organoheterocyclic compounds
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Thermo Scientific Chemicals 5-Bromouracil, 98%
CAS: 51-20-7 Molecular Formula: C4H3BrN2O2 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00006017 InChI Key: LQLQRFGHAALLLE-UHFFFAOYSA-N Synonym: 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 5802 ChEBI: CHEBI:20552 IUPAC Name: 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: BrC1=CNC(=O)NC1=O
| PubChem CID | 5802 |
|---|---|
| CAS | 51-20-7 |
| Molecular Weight (g/mol) | 190.98 |
| ChEBI | CHEBI:20552 |
| MDL Number | MFCD00006017 |
| SMILES | BrC1=CNC(=O)NC1=O |
| Synonym | 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | LQLQRFGHAALLLE-UHFFFAOYSA-N |
| Molecular Formula | C4H3BrN2O2 |
4,5',8-Trimethylpsoralen, 97.5%
CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
| PubChem CID | 5585 |
|---|---|
| CAS | 3902-71-4 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:28329 |
| MDL Number | MFCD00005010 |
| SMILES | CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 |
| Synonym | trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen |
| IUPAC Name | 2,5,9-trimethylfuro[3,2-g]chromen-7-one |
| InChI Key | FMHHVULEAZTJMA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
3,5-Bis(trifluoromethyl)pyrazole, 97%, Thermo Scientific™
CAS: 14704-41-7 Molecular Formula: C5H2F6N2 Molecular Weight (g/mol): 204.07 InChI Key: NGDDUAYSWPUSLX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole PubChem CID: 518991 IUPAC Name: 3,5-bis(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 518991 |
|---|---|
| CAS | 14704-41-7 |
| Molecular Weight (g/mol) | 204.07 |
| SMILES | C1=C(NN=C1C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole |
| IUPAC Name | 3,5-bis(trifluoromethyl)-1H-pyrazole |
| InChI Key | NGDDUAYSWPUSLX-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6N2 |
2-Hydroxy-4-methyl-5-nitropyridine, 98%, Thermo Scientific™
CAS: 21901-41-7 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.13 MDL Number: MFCD00010690 InChI Key: AIEHUZHKFUNHCJ-UHFFFAOYSA-N Synonym: 2-hydroxy-4-methyl-5-nitropyridine,4-methyl-5-nitropyridin-2-ol,2-hydroxy-5-nitro-4-picoline,2-hydroxy-5-nitro-4-methyl pyridine,2-hydroxy-5-nitro-4-methylpyridine,4-methyl-5-nitropyridin-2 1h-one,4-methyl-5-nitro-2-pyridinol,4-methyl-5-nitro-1,2-dihydropyridin-2-one,4-methyl-5-nitro-pyridin-2-ol,2 1h-pyridinone, 4-methyl-5-nitro PubChem CID: 345371 IUPAC Name: 4-methyl-5-nitro-1H-pyridin-2-one SMILES: CC1=CC(=O)NC=C1[N+](=O)[O-]
| PubChem CID | 345371 |
|---|---|
| CAS | 21901-41-7 |
| Molecular Weight (g/mol) | 154.13 |
| MDL Number | MFCD00010690 |
| SMILES | CC1=CC(=O)NC=C1[N+](=O)[O-] |
| Synonym | 2-hydroxy-4-methyl-5-nitropyridine,4-methyl-5-nitropyridin-2-ol,2-hydroxy-5-nitro-4-picoline,2-hydroxy-5-nitro-4-methyl pyridine,2-hydroxy-5-nitro-4-methylpyridine,4-methyl-5-nitropyridin-2 1h-one,4-methyl-5-nitro-2-pyridinol,4-methyl-5-nitro-1,2-dihydropyridin-2-one,4-methyl-5-nitro-pyridin-2-ol,2 1h-pyridinone, 4-methyl-5-nitro |
| IUPAC Name | 4-methyl-5-nitro-1H-pyridin-2-one |
| InChI Key | AIEHUZHKFUNHCJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O3 |
3,5-Dichloro-2,4,6-trifluoropyridine, 98%, Thermo Scientific™
CAS: 1737-93-5 Molecular Formula: C5Cl2F3N Molecular Weight (g/mol): 201.96 InChI Key: PKSORSNCSXBXOT-UHFFFAOYSA-N Synonym: 2,4,6-trifluoro-3,5-dichloropyridine,pyridine, 3,5-dichloro-2,4,6-trifluoro,3,5-dichlorotrifluoropyridine,2,6-dichloro-1,3,5-trifluorobenzene,3,5-dichloro-2,4-6-trifluoropyridine,2,4,6-trifluoro-3,5-dichloro pyridine,3,5-dichloro-2,4,6-trifluoro-pyridine,ablock ab-12-8020,pubchem5003,acmc-1boj6 PubChem CID: 61273 IUPAC Name: 3,5-dichloro-2,4,6-trifluoropyridine SMILES: C1(=C(C(=NC(=C1Cl)F)F)Cl)F
| PubChem CID | 61273 |
|---|---|
| CAS | 1737-93-5 |
| Molecular Weight (g/mol) | 201.96 |
| SMILES | C1(=C(C(=NC(=C1Cl)F)F)Cl)F |
| Synonym | 2,4,6-trifluoro-3,5-dichloropyridine,pyridine, 3,5-dichloro-2,4,6-trifluoro,3,5-dichlorotrifluoropyridine,2,6-dichloro-1,3,5-trifluorobenzene,3,5-dichloro-2,4-6-trifluoropyridine,2,4,6-trifluoro-3,5-dichloro pyridine,3,5-dichloro-2,4,6-trifluoro-pyridine,ablock ab-12-8020,pubchem5003,acmc-1boj6 |
| IUPAC Name | 3,5-dichloro-2,4,6-trifluoropyridine |
| InChI Key | PKSORSNCSXBXOT-UHFFFAOYSA-N |
| Molecular Formula | C5Cl2F3N |
2-Benzoxazolinone, 98%
CAS: 59-49-4 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00005716 InChI Key: ASSKVPFEZFQQNQ-UHFFFAOYSA-N Synonym: 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one PubChem CID: 6043 IUPAC Name: 3H-1,3-benzoxazol-2-one SMILES: O=C1NC2=CC=CC=C2O1
| PubChem CID | 6043 |
|---|---|
| CAS | 59-49-4 |
| Molecular Weight (g/mol) | 135.12 |
| MDL Number | MFCD00005716 |
| SMILES | O=C1NC2=CC=CC=C2O1 |
| Synonym | 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one |
| IUPAC Name | 3H-1,3-benzoxazol-2-one |
| InChI Key | ASSKVPFEZFQQNQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
3-Isocyanato-2-methyl-6-(trifluoromethyl)pyridine, Thermo Scientific™
CAS: 874832-10-7 Molecular Formula: C8H5F3N2O Molecular Weight (g/mol): 202.136 InChI Key: BRXUOLWIERBAPA-UHFFFAOYSA-N Synonym: 3-isocyanato-2-methyl-6-trifluoromethyl pyridine,pyridine, 3-isocyanato-2-methyl-6-trifluoromethyl,2-methyl-6-trifluoromethyl pyridin-3-isocyanate PubChem CID: 45594323 IUPAC Name: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine SMILES: CC1=C(C=CC(=N1)C(F)(F)F)N=C=O
| PubChem CID | 45594323 |
|---|---|
| CAS | 874832-10-7 |
| Molecular Weight (g/mol) | 202.136 |
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)N=C=O |
| Synonym | 3-isocyanato-2-methyl-6-trifluoromethyl pyridine,pyridine, 3-isocyanato-2-methyl-6-trifluoromethyl,2-methyl-6-trifluoromethyl pyridin-3-isocyanate |
| IUPAC Name | 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine |
| InChI Key | BRXUOLWIERBAPA-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2O |
1,2-Dimethyl-3-hydroxy-4-pyridone, 98+%
CAS: 30652-11-0 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.15 MDL Number: MFCD00134497 InChI Key: TZXKOCQBRNJULO-UHFFFAOYSA-N Synonym: deferiprone,ferriprox,3-hydroxy-1,2-dimethyl-4 1h-pyridone,3-hydroxy-1,2-dimethylpyridin-4 1h-one,1,2-dimethyl-3-hydroxy-4-pyridone,1,2-dimethyl-3-hydroxypyrid-4-one,1,2-dimethyl-3-hydroxypyridine-4-one,cp20 chelating agent,unii-2bty8kh53l,ferriprox tn PubChem CID: 2972 ChEBI: CHEBI:68554 IUPAC Name: 3-hydroxy-1,2-dimethylpyridin-4-one SMILES: CC1=C(C(=O)C=CN1C)O
| PubChem CID | 2972 |
|---|---|
| CAS | 30652-11-0 |
| Molecular Weight (g/mol) | 139.15 |
| ChEBI | CHEBI:68554 |
| MDL Number | MFCD00134497 |
| SMILES | CC1=C(C(=O)C=CN1C)O |
| Synonym | deferiprone,ferriprox,3-hydroxy-1,2-dimethyl-4 1h-pyridone,3-hydroxy-1,2-dimethylpyridin-4 1h-one,1,2-dimethyl-3-hydroxy-4-pyridone,1,2-dimethyl-3-hydroxypyrid-4-one,1,2-dimethyl-3-hydroxypyridine-4-one,cp20 chelating agent,unii-2bty8kh53l,ferriprox tn |
| IUPAC Name | 3-hydroxy-1,2-dimethylpyridin-4-one |
| InChI Key | TZXKOCQBRNJULO-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
9-Methylacridine, 97%
CAS: 611-64-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00143523 InChI Key: FLDRLXJNISEWNZ-UHFFFAOYSA-N Synonym: acridine, 9-methyl,5-methylacridine,9-methylakridin,9-methylakridin czech,unii-1f3q4u9uis,9-methyl acridine,5-methylacridine european,1f3q4u9uis,9-methylacridin,9-methyl-acridine PubChem CID: 11913 IUPAC Name: 9-methylacridine SMILES: CC1=C2C=CC=CC2=NC2=CC=CC=C12
| PubChem CID | 11913 |
|---|---|
| CAS | 611-64-3 |
| Molecular Weight (g/mol) | 193.25 |
| MDL Number | MFCD00143523 |
| SMILES | CC1=C2C=CC=CC2=NC2=CC=CC=C12 |
| Synonym | acridine, 9-methyl,5-methylacridine,9-methylakridin,9-methylakridin czech,unii-1f3q4u9uis,9-methyl acridine,5-methylacridine european,1f3q4u9uis,9-methylacridin,9-methyl-acridine |
| IUPAC Name | 9-methylacridine |
| InChI Key | FLDRLXJNISEWNZ-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Isonicotinic anhydride, 90%, remainder picolinic and nicotinic acid-anhydride
CAS: 7082-71-5 Molecular Formula: C12H8N2O3 Molecular Weight (g/mol): 228.2 MDL Number: MFCD00062784 InChI Key: ORBIGZZHMAJXAZ-UHFFFAOYSA-N Synonym: isonicotinic anhydride,isonictinic anhydride,acmc-1bcxw,isonicotinic acid anhydride,bis 4-pyridinecarboxylic anhydride,4-pyridinecarboxylicacid, anhydride with 4-pyridinecarboxylic acid,4-pyridinecarboxylic acid anhydride; pyridine-4-carboxylic acid anhydride PubChem CID: 81529 IUPAC Name: pyridine-4-carbonyl pyridine-4-carboxylate SMILES: C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2
| PubChem CID | 81529 |
|---|---|
| CAS | 7082-71-5 |
| Molecular Weight (g/mol) | 228.2 |
| MDL Number | MFCD00062784 |
| SMILES | C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2 |
| Synonym | isonicotinic anhydride,isonictinic anhydride,acmc-1bcxw,isonicotinic acid anhydride,bis 4-pyridinecarboxylic anhydride,4-pyridinecarboxylicacid, anhydride with 4-pyridinecarboxylic acid,4-pyridinecarboxylic acid anhydride; pyridine-4-carboxylic acid anhydride |
| IUPAC Name | pyridine-4-carbonyl pyridine-4-carboxylate |
| InChI Key | ORBIGZZHMAJXAZ-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O3 |
2-Amino-1,3,5-triazine, 98%
CAS: 4122-04-7 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.09 InChI Key: KCZIUKYAJJEIQG-UHFFFAOYSA-N
| CAS | 4122-04-7 |
|---|---|
| Molecular Weight (g/mol) | 96.09 |
| InChI Key | KCZIUKYAJJEIQG-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4 |
2,2'-Dipyridyl N,N'-dioxide, 98%
CAS: 7275-43-6 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00065169 InChI Key: FERMVCULDZOVOJ-KTKRTIGZSA-N Synonym: 2,2'-bipyridine 1,1'-dioxide,2,2'-dipyridyl n,n'-dioxide,2,2'-bipyridine n,n'-dioxide,2,2'-dipyridyl-n,n'-dioxide PubChem CID: 6005843 SMILES: [O-]N1C=CC=C\C1=C1/C=CC=C[N+]1=O
| PubChem CID | 6005843 |
|---|---|
| CAS | 7275-43-6 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00065169 |
| SMILES | [O-]N1C=CC=C\C1=C1/C=CC=C[N+]1=O |
| Synonym | 2,2'-bipyridine 1,1'-dioxide,2,2'-dipyridyl n,n'-dioxide,2,2'-bipyridine n,n'-dioxide,2,2'-dipyridyl-n,n'-dioxide |
| InChI Key | FERMVCULDZOVOJ-KTKRTIGZSA-N |
| Molecular Formula | C10H8N2O2 |
2,3-Lutidine, 98+%
CAS: 583-61-9 MDL Number: MFCD00009605 InChI Key: HPYNZHMRTTWQTB-UHFFFAOYSA-N Synonym: 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 PubChem CID: 11420 IUPAC Name: 2,3-dimethylpyridine SMILES: CC1=C(N=CC=C1)C
| PubChem CID | 11420 |
|---|---|
| CAS | 583-61-9 |
| MDL Number | MFCD00009605 |
| SMILES | CC1=C(N=CC=C1)C |
| Synonym | 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 |
| IUPAC Name | 2,3-dimethylpyridine |
| InChI Key | HPYNZHMRTTWQTB-UHFFFAOYSA-N |
4,4'-Dipyridyl, 98%
CAS: 553-26-4 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00006416 InChI Key: MWVTWFVJZLCBMC-UHFFFAOYSA-N Synonym: 4,4'-bipyridine,4,4'-bipyridyl,4,4'-dipyridyl,4-4-pyridyl pyridine,4,4'-dipyridine,4,4-bipyridyl,4,4-dipyridyl,gamma,gamma'-bipyridyl,gamma,gamma'-dipyridyl,unii-x4o2od61cb PubChem CID: 11107 ChEBI: CHEBI:30985 IUPAC Name: 4-pyridin-4-ylpyridine SMILES: C1=CC(=CC=N1)C1=CC=NC=C1
| PubChem CID | 11107 |
|---|---|
| CAS | 553-26-4 |
| Molecular Weight (g/mol) | 156.19 |
| ChEBI | CHEBI:30985 |
| MDL Number | MFCD00006416 |
| SMILES | C1=CC(=CC=N1)C1=CC=NC=C1 |
| Synonym | 4,4'-bipyridine,4,4'-bipyridyl,4,4'-dipyridyl,4-4-pyridyl pyridine,4,4'-dipyridine,4,4-bipyridyl,4,4-dipyridyl,gamma,gamma'-bipyridyl,gamma,gamma'-dipyridyl,unii-x4o2od61cb |
| IUPAC Name | 4-pyridin-4-ylpyridine |
| InChI Key | MWVTWFVJZLCBMC-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
6-Methylquinoline, 98%
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
| PubChem CID | 7059 |
|---|---|
| CAS | 91-62-3 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00006804 |
| SMILES | CC1=CC=C2N=CC=CC2=C1 |
| Synonym | quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 |
| IUPAC Name | 6-methylquinoline |
| InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |