2-(5-(3-Fluorophenyl)pyridin-2-yl)acetic acid
Basic information
- CAS
1158764-04-5- Standard SMILES
O=C(O)Cc1ccc(-c2cccc(F)c2)cn1- InChIKey
JHSHFTFRNHCPRG-UHFFFAOYSA-N- Molecular formula
- C13H10FNO2
- Average molar mass
- 231.22 g/mol
- Monoisotopic mass
- 231.06955672
Names & identifiers
- Preferred name
- 2-(5-(3-Fluorophenyl)pyridin-2-yl)acetic acid
- IUPAC
- 2-[5-(3-fluorophenyl)-2-pyridinyl]acetic acid
Names & synonyms
2-(5-(3-fluorophenyl)pyridin-2-yl)acetic acid1158764-04-55-(3-Fluorophenyl)-2-pyridineacetic acidDTXSID501273487[5-(3-Fluorophenyl)pyridin-2-yl]acetic acidA1-126847
Database identifiers
- CAS
1158764-04-5- PubChem CID
- 46314296
- DTXSID
DTXSID501273487
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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