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

C14H12N2O4 — CID 163216957

IUPAC4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H12N2O4/c1-7-3-9(5-11(15-7)13(17)18)10-4-8(2)16-12(6-10)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFRGUXCOSJRSSOC-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.16
Rot. Bonds3

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

4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 163216957) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
PubChem CID163216957
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H12N2O4/c1-7-3-9(5-11(15-7)13(17)18)10-4-8(2)16-12(6-10)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFRGUXCOSJRSSOC-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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Related Compounds

4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid
CID 118636793
6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid
CID 68745747
4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
CID 130656006
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
CID 158929011
4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
CID 102140939
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
2-(3,4-dihydroxyphenyl)-6-methylpyrimidine-4-carboxylic acid
CID 136889419

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid (CID 163216957) is 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid is Cc1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1.
What is the InChIKey of 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is FRGUXCOSJRSSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-3-9(5-11(15-7)13(17)18)10-4-8(2)16-12(6-10)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-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 4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 163216957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).