5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid

C15H15NO3 — CID 167486684

IUPAC5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid
SMILESCOc1c(C)cccc1-c1cnc(C(=O)O)cc1C
InChIInChI=1S/C15H15NO3/c1-9-5-4-6-11(14(9)19-3)12-8-16-13(15(17)18)7-10(12)2/h4-8H,1-3H3,(H,17,18)
InChIKeyDDSHPSODXCCHMA-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds3

About 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid

5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid (PubChem CID 167486684) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid
PubChem CID167486684
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid
SMILESCOc1c(C)cccc1-c1cnc(C(=O)O)cc1C
InChIInChI=1S/C15H15NO3/c1-9-5-4-6-11(14(9)19-3)12-8-16-13(15(17)18)7-10(12)2/h4-8H,1-3H3,(H,17,18)
InChIKeyDDSHPSODXCCHMA-UHFFFAOYSA-N
XLogP3.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid (CID 167486684) is 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid is COc1c(C)cccc1-c1cnc(C(=O)O)cc1C.
What is the InChIKey of 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is DDSHPSODXCCHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-5-4-6-11(14(9)19-3)12-8-16-13(15(17)18)7-10(12)2/h4-8H,1-3H3,(H,17,18).
What are the key properties of 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid?
5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 167486684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).