5-(3-methylphenyl)pyridine-3-carboxylic acid

C13H11NO2 — CID 24729785

IUPAC5-(3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO2/c1-9-3-2-4-10(5-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16)
InChIKeyKQXMMUCUYGOXEX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 5-(3-methylphenyl)pyridine-3-carboxylic acid

5-(3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 24729785) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID24729785
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-(3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cccc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO2/c1-9-3-2-4-10(5-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16)
InChIKeyKQXMMUCUYGOXEX-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methylphenyl)pyridine-3-carboxylic acid (CID 24729785) is 5-(3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methylphenyl)pyridine-3-carboxylic acid is Cc1cccc(-c2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is KQXMMUCUYGOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-3-2-4-10(5-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16).
What are the key properties of 5-(3-methylphenyl)pyridine-3-carboxylic acid?
5-(3-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).