5-(3-chlorophenyl)pyridine-2-carboxylic acid

C12H8ClNO2 — CID 50998560

IUPAC5-(3-chlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)9-4-5-11(12(15)16)14-7-9/h1-7H,(H,15,16)
InChIKeyMJNAVDGXYYXWIU-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.10
Rot. Bonds2

About 5-(3-chlorophenyl)pyridine-2-carboxylic acid

5-(3-chlorophenyl)pyridine-2-carboxylic acid (PubChem CID 50998560) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)pyridine-2-carboxylic acid
PubChem CID50998560
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name5-(3-chlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)9-4-5-11(12(15)16)14-7-9/h1-7H,(H,15,16)
InChIKeyMJNAVDGXYYXWIU-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 5-(3-chlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)pyridine-2-carboxylic acid (CID 50998560) is 5-(3-chlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(Cl)c2)cn1.
What is the InChIKey of 5-(3-chlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is MJNAVDGXYYXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)9-4-5-11(12(15)16)14-7-9/h1-7H,(H,15,16).
What are the key properties of 5-(3-chlorophenyl)pyridine-2-carboxylic acid?
5-(3-chlorophenyl)pyridine-2-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 5-(3-chlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 50998560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).