Basic information
- CAS
54979-78-1- Standard SMILES
O=C(Nc1ccccn1)c1ccccc1Cl- InChIKey
MCECBHOZVSWERU-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O
- Average molar mass
- 232.66 g/mol
- Monoisotopic mass
- 232.0403406
Names & identifiers
- Preferred name
- 2-chloro-N-(pyridin-2-yl)benzamide
- IUPAC
- 2-chloro-N-pyridin-2-ylbenzamide
- English name
- 2-chloro-N-(pyridin-2-yl)benzamide
- Molecular formula
- C12H9ClN2O
- Molecular weight
- 232.67
Names & synonyms
54979-78-12-chloro-N-(pyridin-2-yl)benzamide2-Chloro-N-2-pyridinylbenzamideNSC 5078432-chloro-N-pyridin-2-ylbenzamide2-chloro-N-(2-pyridinyl)benzamide2-Chloro-N-pyridin-2-yl-benzamideNSC507843Oprea1_212106Oprea1_537856SCHEMBL5225094CHEMBL3314992
Show more names
DTXSID60325448HMS1607F12Benzamide, 2-chloro-N-2-pyridinyl-STK156175AKOS000673296NSC-507843(2-chlorophenyl)-N-(2-pyridyl)carboxamideDB-112013
Database identifiers
- CAS
54979-78-1- PubChem CID
- 350153
- DTXSID
DTXSID60325448- ChEMBL
CHEMBL3314992- Nikkaji
- J1.510.343D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 275.1 °C · 275.1 °C
- Boiling point
- 307.3 · 307.3±22.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 11.53 · 11.53±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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