3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid

C16H11ClN2O2 — CID 126508434

IUPAC3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1-c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H11ClN2O2/c1-9-6-7-18-15(16(20)21)14(9)11-2-4-12-10(8-11)3-5-13(17)19-12/h2-8H,1H3,(H,20,21)
InChIKeyMYNXHYOKFGFXTC-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.96
Rot. Bonds2

About 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid

3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid (PubChem CID 126508434) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid
PubChem CID126508434
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1-c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H11ClN2O2/c1-9-6-7-18-15(16(20)21)14(9)11-2-4-12-10(8-11)3-5-13(17)19-12/h2-8H,1H3,(H,20,21)
InChIKeyMYNXHYOKFGFXTC-UHFFFAOYSA-N
XLogP3.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-methylisoquinoline-1-carboxylic acid
CID 125426657
2-chloro-5-(2-methylquinolin-6-yl)benzoic acid
CID 81229927
5-(2-methylquinolin-6-yl)pyridine-2-carboxylic acid
CID 81224347
2-chloro-7-quinolin-6-ylquinoline
CID 176598696
5-chloro-2-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 106511978
5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 135354683
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
2-chloro-7-methoxyquinoline-6-carboxylic acid;methanamine
CID 174967264
2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide
CID 121470633
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
CID 81224038
3-(2H-isoindol-5-yl)-4-methylpyridine-2-carbonitrile
CID 66633580

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid (CID 126508434) is 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid is Cc1ccnc(C(=O)O)c1-c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is MYNXHYOKFGFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-9-6-7-18-15(16(20)21)14(9)11-2-4-12-10(8-11)3-5-13(17)19-12/h2-8H,1H3,(H,20,21).
What are the key properties of 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid?
3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-6-yl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 126508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).