6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid

C18H12ClNO2 — CID 11461037

IUPAC6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3ccccc3Cl)c2)n1
InChIInChI=1S/C18H12ClNO2/c19-15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(20-16)18(21)22/h1-11H,(H,21,22)
InChIKeyWWHZYWDIPOBHPW-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.77
Rot. Bonds3

About 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid

6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 11461037) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
PubChem CID11461037
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cccc(-c3ccccc3Cl)c2)n1
InChIInChI=1S/C18H12ClNO2/c19-15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(20-16)18(21)22/h1-11H,(H,21,22)
InChIKeyWWHZYWDIPOBHPW-UHFFFAOYSA-N
XLogP4.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid (CID 11461037) is 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cccc(-c3ccccc3Cl)c2)n1.
What is the InChIKey of 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is WWHZYWDIPOBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(20-16)18(21)22/h1-11H,(H,21,22).
What are the key properties of 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid?
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11461037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).