5-(2,5-Dichlorophenyl)nicotinic acid
Basic information
- CAS
1181639-80-4- Standard SMILES
O=C(O)c1cncc(-c2cc(Cl)ccc2Cl)c1- InChIKey
ABTBZFOCLCIXGN-UHFFFAOYSA-N- Molecular formula
- C12H7Cl2NO2
- Average molar mass
- 268.09 g/mol
- Monoisotopic mass
- 266.9853839
Names & identifiers
- Preferred name
- 5-(2,5-Dichlorophenyl)nicotinic acid
- IUPAC
- 5-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
Names & synonyms
1181639-80-45-(2,5-DICHLOROPHENYL)NICOTINIC ACID5-(2,5-dichlorophenyl)pyridine-3-carboxylic acidSCHEMBL25239407DTXSID20653537MFCD11933698AKOS0059783275-(2,5-DICHLOROPHENYL)NICOTINICACID5-(2,5-Dichlorophenyl)nicotinic acid, 95%
Database identifiers
- CAS
1181639-80-4- PubChem CID
- 39232802
- DTXSID
DTXSID20653537
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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