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

C25H16ClF2NO3 — CID 10411538

IUPAC6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1
InChIInChI=1S/C25H16ClF2NO3/c26-16-9-11-24(32-14-15-8-10-17(27)13-21(15)28)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)
InChIKeyAIEWYKTUZZEYGB-UHFFFAOYSA-N
MW451.86 g/mol
LogP6.62
Rot. Bonds6

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

6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 10411538) has the molecular formula C25H16ClF2NO3 and a molecular weight of 451.86 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID10411538
Molecular FormulaC25H16ClF2NO3
Molecular Weight451.86 g/mol
Exact Mass451.08
IUPAC Name6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1
InChIInChI=1S/C25H16ClF2NO3/c26-16-9-11-24(32-14-15-8-10-17(27)13-21(15)28)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)
InChIKeyAIEWYKTUZZEYGB-UHFFFAOYSA-N
XLogP6.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 56.62
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-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid (CID 10411538) is 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1.
What is the InChIKey of 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is AIEWYKTUZZEYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2NO3/c26-16-9-11-24(32-14-15-8-10-17(27)13-21(15)28)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31).
What are the key properties of 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid?
6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 451.86 g/mol, XLogP of 6.62, 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-[(2,4-difluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10411538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).