Organoheterocyclic compounds
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4-Chloro-6,7,8,9-tetrahydro-5H-cyclohepta-4,5-thieno[2,3-d]pyrimidine, 96%
CAS: 40106-58-9 Molecular Formula: C11H11ClN2S Molecular Weight (g/mol): 238.733 MDL Number: MFCD05865130 InChI Key: AUYMUMFPLSANID-UHFFFAOYSA-N Synonym: 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4,5 thieno 2,3-d pyrimidine,5h-cyclohepta 4,5 thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2,7 tetradeca-1 9 ,2 7 ,3,5-tetraene,4-chloro-5,6,7,8,9-pentahydrocyclohepta 1,2-d pyrimidino 4,5-b thiophene,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2 ,? tetradeca-1 9 ,2,4,6-tetraene,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5 thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5-thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4.5 thieno 2.3-d pyrimidine,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0?,? tetradeca-1 9 ,2,4,6-tetraene PubChem CID: 2794752 IUPAC Name: 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidine SMILES: C1CCC2=C(CC1)SC3=C2C(=NC=N3)Cl
| PubChem CID | 2794752 |
|---|---|
| CAS | 40106-58-9 |
| Molecular Weight (g/mol) | 238.733 |
| MDL Number | MFCD05865130 |
| SMILES | C1CCC2=C(CC1)SC3=C2C(=NC=N3)Cl |
| Synonym | 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4,5 thieno 2,3-d pyrimidine,5h-cyclohepta 4,5 thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2,7 tetradeca-1 9 ,2 7 ,3,5-tetraene,4-chloro-5,6,7,8,9-pentahydrocyclohepta 1,2-d pyrimidino 4,5-b thiophene,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2 ,? tetradeca-1 9 ,2,4,6-tetraene,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5 thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5-thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4.5 thieno 2.3-d pyrimidine,3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0?,? tetradeca-1 9 ,2,4,6-tetraene |
| IUPAC Name | 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidine |
| InChI Key | AUYMUMFPLSANID-UHFFFAOYSA-N |
| Molecular Formula | C11H11ClN2S |
2-Fluoro-5-hydroxypyridine, 95%, Thermo Scientific Chemicals
CAS: 55758-32-2 Molecular Formula: C5H4FNO Molecular Weight (g/mol): 113.091 MDL Number: MFCD01075040 InChI Key: HTRLNWYWOKWCLV-UHFFFAOYSA-N Synonym: 2-fluoro-5-hydroxypyridine,6-fluoro-3-pyridinol,6-fluoro-3-hydroxypyridine,3-pyridinol, 6-fluoro,pubchem6321,6-fluoropyridine-3-ol,6-fluoro-pyridin-3-ol,acmc-1b21k,3-hydroxy-6-fluoro-pyridine,ksc490s4n PubChem CID: 2763108 IUPAC Name: 6-fluoropyridin-3-ol SMILES: C1=CC(=NC=C1O)F
| PubChem CID | 2763108 |
|---|---|
| CAS | 55758-32-2 |
| Molecular Weight (g/mol) | 113.091 |
| MDL Number | MFCD01075040 |
| SMILES | C1=CC(=NC=C1O)F |
| Synonym | 2-fluoro-5-hydroxypyridine,6-fluoro-3-pyridinol,6-fluoro-3-hydroxypyridine,3-pyridinol, 6-fluoro,pubchem6321,6-fluoropyridine-3-ol,6-fluoro-pyridin-3-ol,acmc-1b21k,3-hydroxy-6-fluoro-pyridine,ksc490s4n |
| IUPAC Name | 6-fluoropyridin-3-ol |
| InChI Key | HTRLNWYWOKWCLV-UHFFFAOYSA-N |
| Molecular Formula | C5H4FNO |
1,2,7,8-Diepoxyoctane, 97%, Thermo Scientific Chemicals
CAS: 2426-07-5 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00005155 InChI Key: LFKLPJRVSHJZPL-UHFFFAOYNA-N Synonym: 1,2,7,8-diepoxyoctane,1,2:7,8-diepoxyoctane,1,7-octadiene diepoxide,oxirane, 2,2'-1,4-butanediyl bis,1,2-epoxy-7,8-epoxyoctane,2,2'-1,4-butanediyl bisoxirane,1,4-di oxiran-2-yl butane,octane, 1,2:7,8-diepoxy,2-4-oxiran-2-yl butyl oxirane,ccris 963 PubChem CID: 17048 ChEBI: CHEBI:23705 IUPAC Name: 2-[4-(oxiran-2-yl)butyl]oxirane SMILES: C1C(O1)CCCCC2CO2
| PubChem CID | 17048 |
|---|---|
| CAS | 2426-07-5 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:23705 |
| MDL Number | MFCD00005155 |
| SMILES | C1C(O1)CCCCC2CO2 |
| Synonym | 1,2,7,8-diepoxyoctane,1,2:7,8-diepoxyoctane,1,7-octadiene diepoxide,oxirane, 2,2'-1,4-butanediyl bis,1,2-epoxy-7,8-epoxyoctane,2,2'-1,4-butanediyl bisoxirane,1,4-di oxiran-2-yl butane,octane, 1,2:7,8-diepoxy,2-4-oxiran-2-yl butyl oxirane,ccris 963 |
| IUPAC Name | 2-[4-(oxiran-2-yl)butyl]oxirane |
| InChI Key | LFKLPJRVSHJZPL-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
5-Chloropyridine-2-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 86873-60-1 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD04114192 InChI Key: GJLOKYIYZIOIPN-UHFFFAOYSA-N Synonym: 5-chloropicolinic acid,5-chloro-2-picolinic acid,5-chloro-2-pyridinecarboxylic acid,5-chloro-pyridine-2-carboxylic acid,5-chloro-2-carboxypyridine,2-carboxy-5-chloropyridine,5-chloropyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 5-chloro,pubchem10379,5-chloro-picolinic acid PubChem CID: 2762872 IUPAC Name: 5-chloropyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1Cl)C(=O)O
| PubChem CID | 2762872 |
|---|---|
| CAS | 86873-60-1 |
| Molecular Weight (g/mol) | 157.553 |
| MDL Number | MFCD04114192 |
| SMILES | C1=CC(=NC=C1Cl)C(=O)O |
| Synonym | 5-chloropicolinic acid,5-chloro-2-picolinic acid,5-chloro-2-pyridinecarboxylic acid,5-chloro-pyridine-2-carboxylic acid,5-chloro-2-carboxypyridine,2-carboxy-5-chloropyridine,5-chloropyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 5-chloro,pubchem10379,5-chloro-picolinic acid |
| IUPAC Name | 5-chloropyridine-2-carboxylic acid |
| InChI Key | GJLOKYIYZIOIPN-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
| CAS | 5780-07-4 |
|---|---|
| MDL Number | MFCD00016900 |
7-Azaindole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 479553-01-0 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD08272236 InChI Key: HPPPHDPVSYYWCH-UHFFFAOYSA-N Synonym: 1h-pyrrolo 2,3-b pyridine-4-carboxylic acid,7-azaindole-4-carboxylic acid,7-azaindole-4-carboxylic acid.,1h-pyrrolo 2,3-b pyridine-4 carboxylic acid PubChem CID: 22477426 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid SMILES: C1=CNC2=NC=CC(=C21)C(=O)O
| PubChem CID | 22477426 |
|---|---|
| CAS | 479553-01-0 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD08272236 |
| SMILES | C1=CNC2=NC=CC(=C21)C(=O)O |
| Synonym | 1h-pyrrolo 2,3-b pyridine-4-carboxylic acid,7-azaindole-4-carboxylic acid,7-azaindole-4-carboxylic acid.,1h-pyrrolo 2,3-b pyridine-4 carboxylic acid |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| InChI Key | HPPPHDPVSYYWCH-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
2-Ethyl-5,5-dimethyl-1,3-dioxane, 99%
CAS: 768-58-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD16622268 InChI Key: QSHOOPIYPOINNH-UHFFFAOYSA-N Synonym: solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl PubChem CID: 69852 IUPAC Name: 2-ethyl-5,5-dimethyl-1,3-dioxane SMILES: CCC1OCC(CO1)(C)C
| PubChem CID | 69852 |
|---|---|
| CAS | 768-58-1 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD16622268 |
| SMILES | CCC1OCC(CO1)(C)C |
| Synonym | solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl |
| IUPAC Name | 2-ethyl-5,5-dimethyl-1,3-dioxane |
| InChI Key | QSHOOPIYPOINNH-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Methyl 4,5-dibromothiophene-2-carboxylate, 97%
CAS: 62224-24-2 Molecular Formula: C6H4Br2O2S Molecular Weight (g/mol): 299.964 MDL Number: MFCD00831688 InChI Key: URPMSPAEAVFKCO-UHFFFAOYSA-N Synonym: methyl 4,5-dibromo-2-thiophenecarboxylate,4,5-dibromothiophene-2-carboxylic acid methyl ester,maybridge3_005092,methyldibromothiophenecarboxylate,methyl 4,5-dibromo-2-thiophencarboxylate,methyl 4, 5-dibromothiophene-2-carboxylate,4,5-dibromo-thiophene-2-carboxylic acid methyl ester PubChem CID: 2727707 IUPAC Name: methyl 4,5-dibromothiophene-2-carboxylate SMILES: COC(=O)C1=CC(=C(S1)Br)Br
| PubChem CID | 2727707 |
|---|---|
| CAS | 62224-24-2 |
| Molecular Weight (g/mol) | 299.964 |
| MDL Number | MFCD00831688 |
| SMILES | COC(=O)C1=CC(=C(S1)Br)Br |
| Synonym | methyl 4,5-dibromo-2-thiophenecarboxylate,4,5-dibromothiophene-2-carboxylic acid methyl ester,maybridge3_005092,methyldibromothiophenecarboxylate,methyl 4,5-dibromo-2-thiophencarboxylate,methyl 4, 5-dibromothiophene-2-carboxylate,4,5-dibromo-thiophene-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 4,5-dibromothiophene-2-carboxylate |
| InChI Key | URPMSPAEAVFKCO-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2O2S |
2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 89402-29-9 Molecular Formula: C6H2BrF4N Molecular Weight (g/mol): 243.987 MDL Number: MFCD10699118 InChI Key: DNVIECHQUYQOOH-UHFFFAOYSA-N PubChem CID: 15592823 IUPAC Name: 2-bromo-3-fluoro-5-(trifluoromethyl)pyridine SMILES: C1=C(C=NC(=C1F)Br)C(F)(F)F
| PubChem CID | 15592823 |
|---|---|
| CAS | 89402-29-9 |
| Molecular Weight (g/mol) | 243.987 |
| MDL Number | MFCD10699118 |
| SMILES | C1=C(C=NC(=C1F)Br)C(F)(F)F |
| IUPAC Name | 2-bromo-3-fluoro-5-(trifluoromethyl)pyridine |
| InChI Key | DNVIECHQUYQOOH-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF4N |
Ethyl 2-chlorooxazole-4-carboxylate, 95%, Thermo Scientific Chemicals
CAS: 460081-18-9 Molecular Formula: C6H6ClNO3 Molecular Weight (g/mol): 175.568 MDL Number: MFCD06660120 InChI Key: SYWQOPRAPDMWMC-UHFFFAOYSA-N PubChem CID: 2763184 IUPAC Name: ethyl 2-chloro-1,3-oxazole-4-carboxylate SMILES: CCOC(=O)C1=COC(=N1)Cl
| PubChem CID | 2763184 |
|---|---|
| CAS | 460081-18-9 |
| Molecular Weight (g/mol) | 175.568 |
| MDL Number | MFCD06660120 |
| SMILES | CCOC(=O)C1=COC(=N1)Cl |
| IUPAC Name | ethyl 2-chloro-1,3-oxazole-4-carboxylate |
| InChI Key | SYWQOPRAPDMWMC-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO3 |
5-Bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 749875-16-9 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.01 MDL Number: MFCD10687236 InChI Key: XNVAVQMVAYUTBA-UHFFFAOYSA-N Synonym: 5-bromo-2-trifluoromethyl isonicotinic acid,5-bromo-2-trifluoromethyl pyridine-4-carboxylic acid,5-bromo-2-trifluoromethyl-isonicotinic acid,4-pyridinecarboxylic acid, 5-bromo-2-trifluoromethyl,5-bromo-2-trifluoromethyl isonicotinicacid,3-bromo-6-trifluoromethyl pyridine-4-carboxylic acid PubChem CID: 28306936 IUPAC Name: 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid SMILES: OC(=O)C1=CC(=NC=C1Br)C(F)(F)F
| PubChem CID | 28306936 |
|---|---|
| CAS | 749875-16-9 |
| Molecular Weight (g/mol) | 270.01 |
| MDL Number | MFCD10687236 |
| SMILES | OC(=O)C1=CC(=NC=C1Br)C(F)(F)F |
| Synonym | 5-bromo-2-trifluoromethyl isonicotinic acid,5-bromo-2-trifluoromethyl pyridine-4-carboxylic acid,5-bromo-2-trifluoromethyl-isonicotinic acid,4-pyridinecarboxylic acid, 5-bromo-2-trifluoromethyl,5-bromo-2-trifluoromethyl isonicotinicacid,3-bromo-6-trifluoromethyl pyridine-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid |
| InChI Key | XNVAVQMVAYUTBA-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO2 |
Methyl 2-hydroxynicotinate, 97%
CAS: 10128-91-3 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00661282 InChI Key: SILBTMNCGYLTOK-UHFFFAOYSA-N Synonym: methyl 2-hydroxynicotinate,methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate,methyl 2-oxo-1,2-dihydropyridine-3-carboxylate,methyl 2-hydroxypyridine-3-carboxylate,2-hydroxy-nicotinic acid methyl ester,2-hydroxynicotinic acid methyl ester,2-hydroxy-3-pyridinecarboxylic acid methyl ester,3-pyridinecarboxylic acid, 2-hydroxy-, methyl ester,methyl 2-hydroxy-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester PubChem CID: 579028 IUPAC Name: methyl 2-oxo-1H-pyridine-3-carboxylate SMILES: COC(=O)C1=CC=CNC1=O
| PubChem CID | 579028 |
|---|---|
| CAS | 10128-91-3 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00661282 |
| SMILES | COC(=O)C1=CC=CNC1=O |
| Synonym | methyl 2-hydroxynicotinate,methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate,methyl 2-oxo-1,2-dihydropyridine-3-carboxylate,methyl 2-hydroxypyridine-3-carboxylate,2-hydroxy-nicotinic acid methyl ester,2-hydroxynicotinic acid methyl ester,2-hydroxy-3-pyridinecarboxylic acid methyl ester,3-pyridinecarboxylic acid, 2-hydroxy-, methyl ester,methyl 2-hydroxy-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester |
| IUPAC Name | methyl 2-oxo-1H-pyridine-3-carboxylate |
| InChI Key | SILBTMNCGYLTOK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3-Amino-2-methyl-6-(trifluoromethyl)pyridine, 97%, Thermo Scientific™
CAS: 383907-17-3 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.14 MDL Number: MFCD01311991 InChI Key: FUJKUIAVFVGTGS-UHFFFAOYSA-N PubChem CID: 3521850 IUPAC Name: 2-methyl-6-(trifluoromethyl)pyridin-3-amine SMILES: CC1=C(N)C=CC(=N1)C(F)(F)F
| PubChem CID | 3521850 |
|---|---|
| CAS | 383907-17-3 |
| Molecular Weight (g/mol) | 176.14 |
| MDL Number | MFCD01311991 |
| SMILES | CC1=C(N)C=CC(=N1)C(F)(F)F |
| IUPAC Name | 2-methyl-6-(trifluoromethyl)pyridin-3-amine |
| InChI Key | FUJKUIAVFVGTGS-UHFFFAOYSA-N |
| Molecular Formula | C7H7F3N2 |
3-Amino-5-phenyl-1,2,4-thiadiazole, 96%
CAS: 27182-54-3 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00159799 InChI Key: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC Name: 5-phenyl-1,2,4-thiadiazol-3-amine SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N
| PubChem CID | 554203 |
|---|---|
| CAS | 27182-54-3 |
| Molecular Weight (g/mol) | 177.225 |
| MDL Number | MFCD00159799 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NS2)N |
| Synonym | 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# |
| IUPAC Name | 5-phenyl-1,2,4-thiadiazol-3-amine |
| InChI Key | WOZDQVLZCXNJPY-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3S |
Quinoline-4-carboxylic acid, 98+%
CAS: 486-74-8 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00006782 InChI Key: VQMSRUREDGBWKT-UHFFFAOYSA-N Synonym: 4-quinolinecarboxylic acid,cinchoninic acid,4-carboxyquinoline,cinchonic acid,usaf d-2,quinoline-4-carboxylicacid,4-quinolinecarboxylicacid,cinchoninsaure,pubchem5843,chinolin-4-carbonsaeure PubChem CID: 10243 ChEBI: CHEBI:18311 IUPAC Name: quinoline-4-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
| PubChem CID | 10243 |
|---|---|
| CAS | 486-74-8 |
| Molecular Weight (g/mol) | 173.171 |
| ChEBI | CHEBI:18311 |
| MDL Number | MFCD00006782 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)C(=O)O |
| Synonym | 4-quinolinecarboxylic acid,cinchoninic acid,4-carboxyquinoline,cinchonic acid,usaf d-2,quinoline-4-carboxylicacid,4-quinolinecarboxylicacid,cinchoninsaure,pubchem5843,chinolin-4-carbonsaeure |
| IUPAC Name | quinoline-4-carboxylic acid |
| InChI Key | VQMSRUREDGBWKT-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |