4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid

C13H11ClN2O3 — CID 163391109

IUPAC4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7-3-8(10(5-15-7)13(17)18)9-4-12(14)16-6-11(9)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyMGCAZYXTPDSVGZ-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.81
Rot. Bonds3

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 163391109) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
PubChem CID163391109
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7-3-8(10(5-15-7)13(17)18)9-4-12(14)16-6-11(9)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyMGCAZYXTPDSVGZ-UHFFFAOYSA-N
XLogP2.81
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390637
2-(5-methoxy-2-methyl-4-pyridinyl)-4-propan-2-ylbenzoic acid
CID 177237992
7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 171486966
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
4-(5-bromo-2-methoxy-4-methylsulfanylphenyl)-6-methylpyridine-3-carboxylic acid
CID 167245834
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521
N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 177342579
N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 171486897
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(cyclopentanecarbonyl)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176892198
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163203

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid (CID 163391109) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is MGCAZYXTPDSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-3-8(10(5-15-7)13(17)18)9-4-12(14)16-6-11(9)19-2/h3-6H,1-2H3,(H,17,18).
What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid?
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 163391109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).