Organoheterocyclic compounds
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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 97%
CAS: 329214-79-1 Molecular Formula: C11H16BNO2 Molecular Weight (g/mol): 205.06 MDL Number: MFCD03084758 InChI Key: XEMDFESAXKSEGI-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-pyridineboronic acid pinacol ester,pyridine-3-boronic acid pinacol ester,3-pyridylboronic acid pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-3-boronic acid, pinacol ester,2-3-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine PubChem CID: 2734656 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=CC=CN=C1
| PubChem CID | 2734656 |
|---|---|
| CAS | 329214-79-1 |
| Molecular Weight (g/mol) | 205.06 |
| MDL Number | MFCD03084758 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CN=C1 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-pyridineboronic acid pinacol ester,pyridine-3-boronic acid pinacol ester,3-pyridylboronic acid pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-3-boronic acid, pinacol ester,2-3-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | XEMDFESAXKSEGI-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO2 |
Astemizole, 99+%
CAS: 68844-77-9 Molecular Formula: C28H31FN4O Molecular Weight (g/mol): 458.581 MDL Number: MFCD00153919 InChI Key: GXDALQBWZGODGZ-UHFFFAOYSA-N Synonym: astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen PubChem CID: 2247 ChEBI: CHEBI:2896 IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
| PubChem CID | 2247 |
|---|---|
| CAS | 68844-77-9 |
| Molecular Weight (g/mol) | 458.581 |
| ChEBI | CHEBI:2896 |
| MDL Number | MFCD00153919 |
| SMILES | COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F |
| Synonym | astemizole,hismanal,histaminos,paralergin,laridal,retolen,alermizol,astemison,astemizol,histamen |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine |
| InChI Key | GXDALQBWZGODGZ-UHFFFAOYSA-N |
| Molecular Formula | C28H31FN4O |
Ethyl 4-methyl-5-imidazolecarboxylate, 98%
CAS: 51605-32-4 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00005199 InChI Key: VLDUBDZWWNLZCU-UHFFFAOYSA-N Synonym: ethyl 4-methyl-5-imidazolecarboxylate,ethyl 4-methyl-1h-imidazole-5-carboxylate,ethyl-4-methyl-5-imidazolecarboxylate,1h-imidazole-5-carboxylic acid, 4-methyl-, ethyl ester,1h-imidazole-4-carboxylic acid, 5-methyl-, ethyl ester,4-carboethoxy-5-methylimidazole,ethyl 4-methylimidazole-5-carboxylate,ethyl 5-methyl-4-imidazolecarboxylate,5-methyl-3h-imidazole-4-carboxylic acid ethyl ester,ethyl 5-methylimidazole-4-carboxylate PubChem CID: 99200 IUPAC Name: ethyl 5-methyl-1H-imidazole-4-carboxylate SMILES: CCOC(=O)C1=C(C)NC=N1
| PubChem CID | 99200 |
|---|---|
| CAS | 51605-32-4 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00005199 |
| SMILES | CCOC(=O)C1=C(C)NC=N1 |
| Synonym | ethyl 4-methyl-5-imidazolecarboxylate,ethyl 4-methyl-1h-imidazole-5-carboxylate,ethyl-4-methyl-5-imidazolecarboxylate,1h-imidazole-5-carboxylic acid, 4-methyl-, ethyl ester,1h-imidazole-4-carboxylic acid, 5-methyl-, ethyl ester,4-carboethoxy-5-methylimidazole,ethyl 4-methylimidazole-5-carboxylate,ethyl 5-methyl-4-imidazolecarboxylate,5-methyl-3h-imidazole-4-carboxylic acid ethyl ester,ethyl 5-methylimidazole-4-carboxylate |
| IUPAC Name | ethyl 5-methyl-1H-imidazole-4-carboxylate |
| InChI Key | VLDUBDZWWNLZCU-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
2-Bromopyridine, 99%
CAS: 109-04-6 Molecular Formula: C5H4BrN Molecular Weight (g/mol): 157.998 MDL Number: MFCD00006219 InChI Key: IMRWILPUOVGIMU-UHFFFAOYSA-N Synonym: o-bromopyridine,pyridine, 2-bromo,2-bromo-pyridine,2-pyridyl bromide,alpha-bromopyridine,beta-bromopyridine,bromopyridine,2-bromopyridin,2-bromo pyridine,unii-7z7mlc4vd8 PubChem CID: 7973 ChEBI: CHEBI:51574 IUPAC Name: 2-bromopyridine SMILES: C1=CC=NC(=C1)Br
| PubChem CID | 7973 |
|---|---|
| CAS | 109-04-6 |
| Molecular Weight (g/mol) | 157.998 |
| ChEBI | CHEBI:51574 |
| MDL Number | MFCD00006219 |
| SMILES | C1=CC=NC(=C1)Br |
| Synonym | o-bromopyridine,pyridine, 2-bromo,2-bromo-pyridine,2-pyridyl bromide,alpha-bromopyridine,beta-bromopyridine,bromopyridine,2-bromopyridin,2-bromo pyridine,unii-7z7mlc4vd8 |
| IUPAC Name | 2-bromopyridine |
| InChI Key | IMRWILPUOVGIMU-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN |
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 |
2-Aminopyridine, 99%
CAS: 504-29-0 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 MDL Number: MFCD00006312 InChI Key: ICSNLGPSRYBMBD-UHFFFAOYSA-N Synonym: 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino PubChem CID: 10439 IUPAC Name: pyridin-2-amine SMILES: C1=CC=NC(=C1)N
| PubChem CID | 10439 |
|---|---|
| CAS | 504-29-0 |
| Molecular Weight (g/mol) | 94.117 |
| MDL Number | MFCD00006312 |
| SMILES | C1=CC=NC(=C1)N |
| Synonym | 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino |
| IUPAC Name | pyridin-2-amine |
| InChI Key | ICSNLGPSRYBMBD-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
Pyridazine, 98+%
CAS: 289-80-5 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006463 InChI Key: PBMFSQRYOILNGV-UHFFFAOYSA-N Synonym: orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x PubChem CID: 9259 ChEBI: CHEBI:30954 IUPAC Name: pyridazine SMILES: C1=CC=NN=C1
| PubChem CID | 9259 |
|---|---|
| CAS | 289-80-5 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:30954 |
| MDL Number | MFCD00006463 |
| SMILES | C1=CC=NN=C1 |
| Synonym | orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x |
| IUPAC Name | pyridazine |
| InChI Key | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
Picolinic acid N-oxide, 97%
CAS: 824-40-8 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006198 InChI Key: FHYMLBVGNFVFBT-UHFFFAOYSA-N Synonym: picolinic acid n-oxide,2-carboxypyridin-1-ium-1-olate,pyridine-2-carboxylic acid 1-oxide,picolinic acid 1-oxide,2-carboxypyridine n-oxide,2-pyridinecarboxylic acid, 1-oxide,chembl73173,2-pyridinecarboxylicacid, 1-oxide,picolinate n-oxide,1-oxopicolinic acid PubChem CID: 69986 IUPAC Name: 1-oxidopyridin-1-ium-2-carboxylic acid SMILES: C1=CC=[N+](C(=C1)C(=O)O)[O-]
| PubChem CID | 69986 |
|---|---|
| CAS | 824-40-8 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006198 |
| SMILES | C1=CC=[N+](C(=C1)C(=O)O)[O-] |
| Synonym | picolinic acid n-oxide,2-carboxypyridin-1-ium-1-olate,pyridine-2-carboxylic acid 1-oxide,picolinic acid 1-oxide,2-carboxypyridine n-oxide,2-pyridinecarboxylic acid, 1-oxide,chembl73173,2-pyridinecarboxylicacid, 1-oxide,picolinate n-oxide,1-oxopicolinic acid |
| IUPAC Name | 1-oxidopyridin-1-ium-2-carboxylic acid |
| InChI Key | FHYMLBVGNFVFBT-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
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 |
2-Methyl-5-nitroimidazole, 99%
CAS: 88054-22-2 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O
| PubChem CID | 12760 |
|---|---|
| CAS | 88054-22-2 |
| Molecular Weight (g/mol) | 127.10 |
| MDL Number | MFCD00005191 |
| SMILES | CC1=NC=C(N1)[N+]([O-])=O |
| Synonym | 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro |
| IUPAC Name | 2-methyl-5-nitro-1H-imidazole |
| InChI Key | FFYTTYVSDVWNMY-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
2-Furonitrile, 98+%
CAS: 617-90-3 Molecular Formula: C5H3NO Molecular Weight (g/mol): 93.09 MDL Number: MFCD00003223 InChI Key: YXDXXGXWFJCXEB-UHFFFAOYSA-N Synonym: 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile PubChem CID: 69245 IUPAC Name: furan-2-carbonitrile SMILES: N#CC1=CC=CO1
| PubChem CID | 69245 |
|---|---|
| CAS | 617-90-3 |
| Molecular Weight (g/mol) | 93.09 |
| MDL Number | MFCD00003223 |
| SMILES | N#CC1=CC=CO1 |
| Synonym | 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile |
| IUPAC Name | furan-2-carbonitrile |
| InChI Key | YXDXXGXWFJCXEB-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO |
4-Amino-2-bromopyridine, 97%
CAS: 7598-35-8 Molecular Formula: C5H5BrN2 Molecular Weight (g/mol): 173.01 MDL Number: MFCD01646061 InChI Key: GNTGEMWEXKBWBX-UHFFFAOYSA-N Synonym: 4-amino-2-bromopyridine,2-bromo-4-aminopyridine,2-bromo-4-pyridylamine,2-bromo-4-pyridinamine,4-pyridinamine, 2-bromo,2-bromo-pyridin-4-ylamine,pubchem1100,pubchem1222,2-brompyridin-4-amin,2-bromopyridine-4-amine PubChem CID: 346455 IUPAC Name: 2-bromopyridin-4-amine SMILES: NC1=CC=NC(Br)=C1
| PubChem CID | 346455 |
|---|---|
| CAS | 7598-35-8 |
| Molecular Weight (g/mol) | 173.01 |
| MDL Number | MFCD01646061 |
| SMILES | NC1=CC=NC(Br)=C1 |
| Synonym | 4-amino-2-bromopyridine,2-bromo-4-aminopyridine,2-bromo-4-pyridylamine,2-bromo-4-pyridinamine,4-pyridinamine, 2-bromo,2-bromo-pyridin-4-ylamine,pubchem1100,pubchem1222,2-brompyridin-4-amin,2-bromopyridine-4-amine |
| IUPAC Name | 2-bromopyridin-4-amine |
| InChI Key | GNTGEMWEXKBWBX-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2 |
Glutaric anhydride, 95%
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-Pyrazinecarboxylic acid, 99%
CAS: 98-97-5 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.1 MDL Number: MFCD00006130 InChI Key: NIPZZXUFJPQHNH-UHFFFAOYSA-N Synonym: 2-pyrazinecarboxylic acid,pyrazinoic acid,pyrazinecarboxylic acid,pyrazinic acid,2-carboxypyrazine,paradiazinecarboxylic acid,pyrazinemonocarboxylic acid,2-pyrazinoic acid,2-pyrazine carboxylic acid,piazinecarboxylic acid PubChem CID: 1047 ChEBI: CHEBI:71311 IUPAC Name: pyrazine-2-carboxylic acid SMILES: C1=CN=C(C=N1)C(=O)O
| PubChem CID | 1047 |
|---|---|
| CAS | 98-97-5 |
| Molecular Weight (g/mol) | 124.1 |
| ChEBI | CHEBI:71311 |
| MDL Number | MFCD00006130 |
| SMILES | C1=CN=C(C=N1)C(=O)O |
| Synonym | 2-pyrazinecarboxylic acid,pyrazinoic acid,pyrazinecarboxylic acid,pyrazinic acid,2-carboxypyrazine,paradiazinecarboxylic acid,pyrazinemonocarboxylic acid,2-pyrazinoic acid,2-pyrazine carboxylic acid,piazinecarboxylic acid |
| IUPAC Name | pyrazine-2-carboxylic acid |
| InChI Key | NIPZZXUFJPQHNH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
5-Formyl-2-thiopheneboronic acid, 97%
CAS: 4347-33-5 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.96 MDL Number: MFCD02093666 InChI Key: DEQOVKFWRPOPQP-UHFFFAOYSA-N Synonym: 5-formyl-2-thiopheneboronic acid,5-formylthiophen-2-boronic acid,5-formylthiophen-2-yl boronic acid,5-formylthiophene-2-boronic acid,2-formylthiophene-5-boronic acid,5-formylthienyl-2-boronic acid,5-formyl-2-thienyl boronic acid,boronic acid, 5-formyl-2-thienyl,5-formyl-2-thiopheneboronicacid,pubchem1722 PubChem CID: 2773430 IUPAC Name: (5-formylthiophen-2-yl)boronic acid SMILES: OB(O)C1=CC=C(S1)C=O
| PubChem CID | 2773430 |
|---|---|
| CAS | 4347-33-5 |
| Molecular Weight (g/mol) | 155.96 |
| MDL Number | MFCD02093666 |
| SMILES | OB(O)C1=CC=C(S1)C=O |
| Synonym | 5-formyl-2-thiopheneboronic acid,5-formylthiophen-2-boronic acid,5-formylthiophen-2-yl boronic acid,5-formylthiophene-2-boronic acid,2-formylthiophene-5-boronic acid,5-formylthienyl-2-boronic acid,5-formyl-2-thienyl boronic acid,boronic acid, 5-formyl-2-thienyl,5-formyl-2-thiopheneboronicacid,pubchem1722 |
| IUPAC Name | (5-formylthiophen-2-yl)boronic acid |
| InChI Key | DEQOVKFWRPOPQP-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |