4-[(3-Pyridin-3-ylpyrrolidin-1-yl)carbonyl]-3',5'-bis(trifluoromethyl)biphenyl-2-carboxylic acid

HCID 46847413
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Basic information

Standard SMILES
O=C(O)c1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
DMACVPIYJYILIX-UHFFFAOYSA-N
Molecular formula
C25H18F6N2O3
Average molar mass
508.4 g/mol

Names & identifiers

Preferred name
4-[(3-Pyridin-3-ylpyrrolidin-1-yl)carbonyl]-3',5'-bis(trifluoromethyl)biphenyl-2-carboxylic acid
IUPAC
2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-pyridin-3-ylpyrrolidine-1-carbonyl)benzoic acid

Names & synonyms

4-[(3-pyridin-3-ylpyrrolidin-1-yl)carbonyl]-3',5'-bis(trifluoromethyl)biphenyl-2-carboxylic acidSCHEMBL2390723

Database identifiers

PubChem CID
46847413

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
70.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
36

Related reactions

1 records
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Compound notes

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