6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid

C25H18ClNO3 — CID 10454544

IUPAC6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C25H18ClNO3/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29/h1-15H,16H2,(H,28,29)
InChIKeyXLGWJWCOXJBCSY-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.35
Rot. Bonds6

About 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid

6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 10454544) has the molecular formula C25H18ClNO3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
PubChem CID10454544
Molecular FormulaC25H18ClNO3
Molecular Weight415.88 g/mol
Exact Mass415.10
IUPAC Name6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C25H18ClNO3/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29/h1-15H,16H2,(H,28,29)
InChIKeyXLGWJWCOXJBCSY-UHFFFAOYSA-N
XLogP6.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.35
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-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid (CID 10454544) is 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is XLGWJWCOXJBCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29/h1-15H,16H2,(H,28,29).
What are the key properties of 6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid?
6-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 415.88 g/mol, XLogP of 6.35, 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-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10454544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).