Basic information
- CAS
49673-77-0- Standard SMILES
O=C(OCc1cccnc1)c1cccnc1- InChIKey
HXKJAMCJBQWDKE-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- Pyridin-3-ylmethyl nicotinate
- IUPAC
- pyridin-3-ylmethyl pyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylic acid 3-pyridinylmethyl ester
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
Pyridin-3-ylmethyl nicotinate49673-77-03-Pyridinecarboxylic acid 3-pyridinylmethyl esterPyridin-3-ylmethyl Pyridine-3-carboxylateDipiridincarboxan3-Pyridylmethyl nicotinateSCHEMBL29028738Y67ENP4G3-Pyridinylmethyl 3-pyridinecarboxylateG750243-Pyridinecarboxylic acid, 3-pyridinylmethyl esterF551444
Show more names
3-Pyridinecarboxylic acid 3-pyridinylmethyl ester 2hcl
Database identifiers
- CAS
49673-77-0- PubChem CID
- 44837
- UNII
- 38Y67ENP4G
- Nikkaji
- J1.656.653E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Chemistry & industry
Suppliers8 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海乾平生物医药科技有限公司（宁波仓库发货）021-61537865 13585780846 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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