6-(3-chlorophenyl)pyridine-3-carboxylic acid

C12H8ClNO2 — CID 24729969

IUPAC6-(3-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChIKeyNWBCIKJWYVAJLJ-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

About 6-(3-chlorophenyl)pyridine-3-carboxylic acid

6-(3-chlorophenyl)pyridine-3-carboxylic acid (PubChem CID 24729969) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 6-(3-chlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-chlorophenyl)pyridine-3-carboxylic acid
PubChem CID24729969
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name6-(3-chlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChIKeyNWBCIKJWYVAJLJ-UHFFFAOYSA-N
XLogP3.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-chlorophenyl)pyridine-3-carboxylic acid (CID 24729969) is 6-(3-chlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-chlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-chlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of 6-(3-chlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is NWBCIKJWYVAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 6-(3-chlorophenyl)pyridine-3-carboxylic acid?
6-(3-chlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 233.65 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).