6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid

C25H17ClFNO3 — CID 10003006

IUPAC6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C25H17ClFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)
InChIKeyATOQBKOTVGDYNI-UHFFFAOYSA-N
MW433.87 g/mol
LogP6.49
Rot. Bonds6

About 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid

6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 10003006) has the molecular formula C25H17ClFNO3 and a molecular weight of 433.87 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID10003006
Molecular FormulaC25H17ClFNO3
Molecular Weight433.87 g/mol
Exact Mass433.09
IUPAC Name6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C25H17ClFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)
InChIKeyATOQBKOTVGDYNI-UHFFFAOYSA-N
XLogP6.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid (CID 10003006) is 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1.
What is the InChIKey of 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is ATOQBKOTVGDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h1-14H,15H2,(H,29,30).
What are the key properties of 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 433.87 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10003006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).