2-(4-(5-Cyanopyridin-3-yl)phenyl)-2-methylpropanoic acid

HCID 68776455
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Basic information

Standard SMILES
CC(C)(C(=O)O)c1ccc(-c2cncc(C#N)c2)cc1
InChIKey
BGONNXFXMBCRJO-UHFFFAOYSA-N
Molecular formula
C16H14N2O2
Average molar mass
266.29 g/mol
Monoisotopic mass
266.10552769

Names & identifiers

Preferred name
2-(4-(5-Cyanopyridin-3-yl)phenyl)-2-methylpropanoic acid
IUPAC
2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methylpropanoic acid

Names & synonyms

SCHEMBL3761740BGONNXFXMBCRJO-UHFFFAOYSA-N2-(4-(5-cyanopyridin-3-yl)phenyl)-2-methylpropanoic acid

Database identifiers

PubChem CID
68776455

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
74 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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