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

C20H16ClNO3 — CID 11559437

IUPAC6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H16ClNO3/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(22-17)20(23)24/h1-11H,12-13H2,(H,23,24)
InChIKeyZCBQEXNDAUWJPW-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.60
Rot. Bonds6

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

6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid (PubChem CID 11559437) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid
PubChem CID11559437
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H16ClNO3/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(22-17)20(23)24/h1-11H,12-13H2,(H,23,24)
InChIKeyZCBQEXNDAUWJPW-UHFFFAOYSA-N
XLogP4.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid (CID 11559437) is 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid?
The InChIKey is ZCBQEXNDAUWJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(22-17)20(23)24/h1-11H,12-13H2,(H,23,24).
What are the key properties of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid?
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid has a molecular weight of 353.81 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11559437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).