5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid

C16H12N2O2 — CID 81224347

IUPAC5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2cc(-c3ccc(C(=O)O)nc3)ccc2n1
InChIInChI=1S/C16H12N2O2/c1-10-2-3-12-8-11(4-6-14(12)18-10)13-5-7-15(16(19)20)17-9-13/h2-9H,1H3,(H,19,20)
InChIKeyORTJCQARHPWLNR-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.30
Rot. Bonds2

About 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid

5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid (PubChem CID 81224347) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid
PubChem CID81224347
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2cc(-c3ccc(C(=O)O)nc3)ccc2n1
InChIInChI=1S/C16H12N2O2/c1-10-2-3-12-8-11(4-6-14(12)18-10)13-5-7-15(16(19)20)17-9-13/h2-9H,1H3,(H,19,20)
InChIKeyORTJCQARHPWLNR-UHFFFAOYSA-N
XLogP3.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid (CID 81224347) is 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid is Cc1ccc2cc(-c3ccc(C(=O)O)nc3)ccc2n1.
What is the InChIKey of 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid?
The InChIKey is ORTJCQARHPWLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-2-3-12-8-11(4-6-14(12)18-10)13-5-7-15(16(19)20)17-9-13/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid?
5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 81224347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).