2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid

C14H12N2O4 — CID 14975206

IUPAC2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C)n2)n1
InChIInChI=1S/C14H12N2O4/c1-7-3-9(13(17)18)5-11(15-7)12-6-10(14(19)20)4-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJCRTKFPYANZPN-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid

2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid (PubChem CID 14975206) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
PubChem CID14975206
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C)n2)n1
InChIInChI=1S/C14H12N2O4/c1-7-3-9(13(17)18)5-11(15-7)12-6-10(14(19)20)4-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJCRTKFPYANZPN-UHFFFAOYSA-N
XLogP2.16
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid (CID 14975206) is 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C)n2)n1.
What is the InChIKey of 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is WJCRTKFPYANZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-3-9(13(17)18)5-11(15-7)12-6-10(14(19)20)4-8(2)16-12/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 14975206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).