2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid

C12H9ClN2O3 — CID 113378263

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-8(12(16)17)3-11(15-7)18-10-4-9(13)5-14-6-10/h2-6H,1H3,(H,16,17)
InChIKeyHEMLUSOMKZQTKQ-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.93
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid

2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid (PubChem CID 113378263) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
PubChem CID113378263
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H9ClN2O3/c1-7-2-8(12(16)17)3-11(15-7)18-10-4-9(13)5-14-6-10/h2-6H,1H3,(H,16,17)
InChIKeyHEMLUSOMKZQTKQ-UHFFFAOYSA-N
XLogP2.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile
CID 114766946
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
2-chloro-6-[(5-chloro-3-pyridinyl)oxy]pyrazine
CID 64600398
2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
CID 114264226
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid
CID 64600585
3-chloro-5-pyrimidin-5-yloxybenzoic acid
CID 67051407

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid (CID 113378263) is 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid?
The InChIKey is HEMLUSOMKZQTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-7-2-8(12(16)17)3-11(15-7)18-10-4-9(13)5-14-6-10/h2-6H,1H3,(H,16,17).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid?
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).