Organoheterocyclic compounds
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1-Methylindole-3-carboxaldehyde, 97%
CAS: 19012-03-4 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00014570 InChI Key: KXYBYRKRRGSZCX-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde PubChem CID: 87894 IUPAC Name: 1-methylindole-3-carbaldehyde SMILES: CN1C=C(C=O)C2=CC=CC=C12
| PubChem CID | 87894 |
|---|---|
| CAS | 19012-03-4 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00014570 |
| SMILES | CN1C=C(C=O)C2=CC=CC=C12 |
| Synonym | 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde |
| IUPAC Name | 1-methylindole-3-carbaldehyde |
| InChI Key | KXYBYRKRRGSZCX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
3-Quinuclidinol, 99%, Thermo Scientific Chemicals
CAS: 1619-34-7 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00151326 InChI Key: IVLICPVPXWEGCA-UHFFFAOYSA-N Synonym: 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol PubChem CID: 15381 ChEBI: CHEBI:115239 IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ol SMILES: C1CN2CCC1C(C2)O
| PubChem CID | 15381 |
|---|---|
| CAS | 1619-34-7 |
| Molecular Weight (g/mol) | 127.19 |
| ChEBI | CHEBI:115239 |
| MDL Number | MFCD00151326 |
| SMILES | C1CN2CCC1C(C2)O |
| Synonym | 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol |
| IUPAC Name | 1-azabicyclo[2.2.2]octan-3-ol |
| InChI Key | IVLICPVPXWEGCA-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
tert-butyl 4-(5-formylpyrid-2-yl)piperazine-1-carboxylate, 97%, Thermo Scientific™
CAS: 479226-10-3 Molecular Formula: C15H21N3O3 Molecular Weight (g/mol): 291.351 MDL Number: MFCD08271923 InChI Key: NETKWTAEPIGRLQ-UHFFFAOYSA-N PubChem CID: 18525767 IUPAC Name: tert-butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)C=O
| PubChem CID | 18525767 |
|---|---|
| CAS | 479226-10-3 |
| Molecular Weight (g/mol) | 291.351 |
| MDL Number | MFCD08271923 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)C=O |
| IUPAC Name | tert-butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate |
| InChI Key | NETKWTAEPIGRLQ-UHFFFAOYSA-N |
| Molecular Formula | C15H21N3O3 |
2-Amino-3-hydroxypyridine, 98%
CAS: 16867-03-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00006317 InChI Key: BMTSZVZQNMNPCT-UHFFFAOYSA-N Synonym: 2-amino-3-hydroxypyridine,2-amino-3-pyridinol,3-pyridinol, 2-amino,2-amino-3-pyridol,3-hydroxy-2-pyridinamine,2-amino-pyridin-3-ol,2-amino-3-hydroxy pyridine,unii-p8740pew4b,3-hydroxy-2-aminopyridine,pubchem2574 PubChem CID: 28114 IUPAC Name: 2-aminopyridin-3-ol SMILES: C1=CC(=C(N=C1)N)O
| PubChem CID | 28114 |
|---|---|
| CAS | 16867-03-1 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD00006317 |
| SMILES | C1=CC(=C(N=C1)N)O |
| Synonym | 2-amino-3-hydroxypyridine,2-amino-3-pyridinol,3-pyridinol, 2-amino,2-amino-3-pyridol,3-hydroxy-2-pyridinamine,2-amino-pyridin-3-ol,2-amino-3-hydroxy pyridine,unii-p8740pew4b,3-hydroxy-2-aminopyridine,pubchem2574 |
| IUPAC Name | 2-aminopyridin-3-ol |
| InChI Key | BMTSZVZQNMNPCT-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
3-Pyrimidin-5-ylbenzaldehyde, 97%, Thermo Scientific™
CAS: 640769-70-6 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD05864833 InChI Key: RAHJVJBPRWJPHE-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl PubChem CID: 4187249 IUPAC Name: 3-pyrimidin-5-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=CN=CN=C2
| PubChem CID | 4187249 |
|---|---|
| CAS | 640769-70-6 |
| Molecular Weight (g/mol) | 184.198 |
| MDL Number | MFCD05864833 |
| SMILES | C1=CC(=CC(=C1)C=O)C2=CN=CN=C2 |
| Synonym | 3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl |
| IUPAC Name | 3-pyrimidin-5-ylbenzaldehyde |
| InChI Key | RAHJVJBPRWJPHE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
4-Methylquinoline, 99%
CAS: 491-35-0 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006784 InChI Key: MUDSDYNRBDKLGK-UHFFFAOYSA-N Synonym: lepidine,quinoline, 4-methyl,cincholepidine,lepidin,p-methylquinoline,4-lepidine,gamma-methylquinoline,4-methyl-quinoline,4-methyl quinoline,ccris 2894 PubChem CID: 10285 ChEBI: CHEBI:48983 IUPAC Name: 4-methylquinoline SMILES: CC1=CC=NC2=CC=CC=C12
| PubChem CID | 10285 |
|---|---|
| CAS | 491-35-0 |
| Molecular Weight (g/mol) | 143.19 |
| ChEBI | CHEBI:48983 |
| MDL Number | MFCD00006784 |
| SMILES | CC1=CC=NC2=CC=CC=C12 |
| Synonym | lepidine,quinoline, 4-methyl,cincholepidine,lepidin,p-methylquinoline,4-lepidine,gamma-methylquinoline,4-methyl-quinoline,4-methyl quinoline,ccris 2894 |
| IUPAC Name | 4-methylquinoline |
| InChI Key | MUDSDYNRBDKLGK-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
(1,5-Dimethyl-1H-pyrazol-3-yl)methanol, 97%, Thermo Scientific™
CAS: 153912-60-8 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD03659702 InChI Key: XJBMHIHXRARJJS-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol PubChem CID: 2776366 IUPAC Name: (1,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=CC(=NN1C)CO
| PubChem CID | 2776366 |
|---|---|
| CAS | 153912-60-8 |
| Molecular Weight (g/mol) | 126.159 |
| MDL Number | MFCD03659702 |
| SMILES | CC1=CC(=NN1C)CO |
| Synonym | 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol |
| IUPAC Name | (1,5-dimethylpyrazol-3-yl)methanol |
| InChI Key | XJBMHIHXRARJJS-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O |
N-Methyl-N-[(6-pyrrolidin-1-ylpyridin-2-yl)methyl]amine, 97%, Thermo Scientific™
CAS: 884507-14-6 Molecular Formula: C11H17N3 Molecular Weight (g/mol): 191.278 MDL Number: MFCD09025832 InChI Key: GGQYFTXRIMPZQO-UHFFFAOYSA-N Synonym: n-methyl-n-6-pyrrolidin-1-ylpyridin-2-yl methyl amine,2-pyridinemethanamine,n-methyl-6-1-pyrrolidinyl,n-methyl 6-pyrrolidin-1-yl pyridin-2-yl methanamine,methyl 6-pyrrolidin-1-yl pyridin-2-yl methyl amine,methyl 6-pyrrolidinyl 2-pyridyl methyl amine,2-pyridinemethanamine, n-methyl-6-1-pyrrolidinyl,n-methyl-1-6-1-pyrrolidinyl-2-pyridinyl methanamine,n-methyl-1-6-pyrrolidin-1-yl pyridin-2-yl methanamine PubChem CID: 24229485 IUPAC Name: N-methyl-1-(6-pyrrolidin-1-ylpyridin-2-yl)methanamine SMILES: CNCC1=NC(=CC=C1)N2CCCC2
| PubChem CID | 24229485 |
|---|---|
| CAS | 884507-14-6 |
| Molecular Weight (g/mol) | 191.278 |
| MDL Number | MFCD09025832 |
| SMILES | CNCC1=NC(=CC=C1)N2CCCC2 |
| Synonym | n-methyl-n-6-pyrrolidin-1-ylpyridin-2-yl methyl amine,2-pyridinemethanamine,n-methyl-6-1-pyrrolidinyl,n-methyl 6-pyrrolidin-1-yl pyridin-2-yl methanamine,methyl 6-pyrrolidin-1-yl pyridin-2-yl methyl amine,methyl 6-pyrrolidinyl 2-pyridyl methyl amine,2-pyridinemethanamine, n-methyl-6-1-pyrrolidinyl,n-methyl-1-6-1-pyrrolidinyl-2-pyridinyl methanamine,n-methyl-1-6-pyrrolidin-1-yl pyridin-2-yl methanamine |
| IUPAC Name | N-methyl-1-(6-pyrrolidin-1-ylpyridin-2-yl)methanamine |
| InChI Key | GGQYFTXRIMPZQO-UHFFFAOYSA-N |
| Molecular Formula | C11H17N3 |
Thiazole, 99%
CAS: 288-47-1 Molecular Formula: C3H3NS Molecular Weight (g/mol): 85.12 MDL Number: MFCD00005315 InChI Key: FZWLAAWBMGSTSO-UHFFFAOYSA-N Synonym: thiazole,thiazol,unii-320rcw8pef,fema no. 3615,ccris 3205,320rcw8pef,lom,racemic thiazole,5h-thiazol-1-ium PubChem CID: 9256 ChEBI: CHEBI:43732 IUPAC Name: 1,3-thiazole SMILES: S1C=CN=C1
| PubChem CID | 9256 |
|---|---|
| CAS | 288-47-1 |
| Molecular Weight (g/mol) | 85.12 |
| ChEBI | CHEBI:43732 |
| MDL Number | MFCD00005315 |
| SMILES | S1C=CN=C1 |
| Synonym | thiazole,thiazol,unii-320rcw8pef,fema no. 3615,ccris 3205,320rcw8pef,lom,racemic thiazole,5h-thiazol-1-ium |
| IUPAC Name | 1,3-thiazole |
| InChI Key | FZWLAAWBMGSTSO-UHFFFAOYSA-N |
| Molecular Formula | C3H3NS |
1,4-Benzodioxan-6-yl methyl ketone, 98%, Thermo Scientific™
CAS: 2879-20-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00006823 InChI Key: HGVWMTAIIYNQSI-UHFFFAOYSA-N PubChem CID: 76143 IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone SMILES: CC(=O)C1=CC=C2OCCOC2=C1
| PubChem CID | 76143 |
|---|---|
| CAS | 2879-20-1 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00006823 |
| SMILES | CC(=O)C1=CC=C2OCCOC2=C1 |
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
| InChI Key | HGVWMTAIIYNQSI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-(1-Methyl-1H-pyrazol-3-yl)aniline, 97%, Thermo Scientific™
CAS: 916766-82-0 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD03407387 InChI Key: WEFJHPBVOKVCLZ-UHFFFAOYSA-N PubChem CID: 18526375 IUPAC Name: 4-(1-methylpyrazol-3-yl)aniline SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)N
| PubChem CID | 18526375 |
|---|---|
| CAS | 916766-82-0 |
| Molecular Weight (g/mol) | 173.219 |
| MDL Number | MFCD03407387 |
| SMILES | CN1C=CC(=N1)C2=CC=C(C=C2)N |
| IUPAC Name | 4-(1-methylpyrazol-3-yl)aniline |
| InChI Key | WEFJHPBVOKVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3 |
1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol, 97%, Thermo Scientific™
CAS: 253449-04-6 Molecular Formula: C17H18Br2N2O Molecular Weight (g/mol): 426.15 MDL Number: MFCD00218393 InChI Key: XUBJEDZHBUPBKL-UHFFFAOYNA-N Synonym: wiskostatin,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2-ol,1-3,6-dibromocarbazol-9-yl-3-dimethylamino propan-2-ol,maybridge1_002006,1-3,6-dibromo-9-carbazolyl-3-dimethylamino-2-propanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino,1-3,6-dibromo-carbazol-9-yl-3-dimethylamino-propan-2-ol,3,6-dibromo-?-dimethylamino methyl-9h-cabazole-9-ethanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2ol,1-3,6-bis bromanyl carbazol-9-yl-3-dimethylamino propan-2-ol PubChem CID: 2775510 ChEBI: CHEBI:78012 SMILES: CN(C)CC(O)CN1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2
| PubChem CID | 2775510 |
|---|---|
| CAS | 253449-04-6 |
| Molecular Weight (g/mol) | 426.15 |
| ChEBI | CHEBI:78012 |
| MDL Number | MFCD00218393 |
| SMILES | CN(C)CC(O)CN1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2 |
| Synonym | wiskostatin,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2-ol,1-3,6-dibromocarbazol-9-yl-3-dimethylamino propan-2-ol,maybridge1_002006,1-3,6-dibromo-9-carbazolyl-3-dimethylamino-2-propanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino,1-3,6-dibromo-carbazol-9-yl-3-dimethylamino-propan-2-ol,3,6-dibromo-?-dimethylamino methyl-9h-cabazole-9-ethanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2ol,1-3,6-bis bromanyl carbazol-9-yl-3-dimethylamino propan-2-ol |
| InChI Key | XUBJEDZHBUPBKL-UHFFFAOYNA-N |
| Molecular Formula | C17H18Br2N2O |
2-Morpholino-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 906353-04-6 Molecular Formula: C8H10N2O3S Molecular Weight (g/mol): 214.24 MDL Number: MFCD09702410 InChI Key: JXQGQYNBVNKCAK-UHFFFAOYSA-N PubChem CID: 24229698 IUPAC Name: 2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid SMILES: OC(=O)C1=CSC(=N1)N1CCOCC1
| PubChem CID | 24229698 |
|---|---|
| CAS | 906353-04-6 |
| Molecular Weight (g/mol) | 214.24 |
| MDL Number | MFCD09702410 |
| SMILES | OC(=O)C1=CSC(=N1)N1CCOCC1 |
| IUPAC Name | 2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid |
| InChI Key | JXQGQYNBVNKCAK-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O3S |
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 96%
CAS: 140681-55-6 Molecular Formula: C7H14B2ClF9N2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD00142607 InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N Synonym: selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate PubChem CID: 2724933 IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
| PubChem CID | 2724933 |
|---|---|
| CAS | 140681-55-6 |
| Molecular Weight (g/mol) | 354.26 |
| MDL Number | MFCD00142607 |
| SMILES | F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2 |
| Synonym | selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate |
| IUPAC Name | 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate |
| InChI Key | TXRPHPUGYLSHCX-UHFFFAOYSA-N |
| Molecular Formula | C7H14B2ClF9N2 |
2,3,5-Collidine, 99+%
CAS: 695-98-7 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00126840 InChI Key: GFYHSKONPJXCDE-UHFFFAOYSA-N Synonym: 2,3,5-collidine,pyridine, 2,3,5-trimethyl,2,3,5-trimethyl pyridine,pubchem15901,acmc-1aul1,2,3,5-trimethyl-pyridin,2,3,5-trimethyl-pyridine,ksc490s0f PubChem CID: 12759 IUPAC Name: 2,3,5-trimethylpyridine SMILES: CC1=CC(=C(N=C1)C)C
| PubChem CID | 12759 |
|---|---|
| CAS | 695-98-7 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00126840 |
| SMILES | CC1=CC(=C(N=C1)C)C |
| Synonym | 2,3,5-collidine,pyridine, 2,3,5-trimethyl,2,3,5-trimethyl pyridine,pubchem15901,acmc-1aul1,2,3,5-trimethyl-pyridin,2,3,5-trimethyl-pyridine,ksc490s0f |
| IUPAC Name | 2,3,5-trimethylpyridine |
| InChI Key | GFYHSKONPJXCDE-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |