5-methyl-4H-pyridine-2,5-dicarboxylic acid

C8H9NO4 — CID 151263653

IUPAC5-methyl-4H-pyridine-2,5-dicarboxylic acid
SMILESCC1(C(=O)O)C=NC(C(=O)O)=CC1
InChIInChI=1S/C8H9NO4/c1-8(7(12)13)3-2-5(6(10)11)9-4-8/h2,4H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyNUWKOYYQEPBWNR-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.52
Rot. Bonds2

About 5-methyl-4H-pyridine-2,5-dicarboxylic acid

5-methyl-4H-pyridine-2,5-dicarboxylic acid (PubChem CID 151263653) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-methyl-4H-pyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name5-methyl-4H-pyridine-2,5-dicarboxylic acid
PubChem CID151263653
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-methyl-4H-pyridine-2,5-dicarboxylic acid
SMILESCC1(C(=O)O)C=NC(C(=O)O)=CC1
InChIInChI=1S/C8H9NO4/c1-8(7(12)13)3-2-5(6(10)11)9-4-8/h2,4H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyNUWKOYYQEPBWNR-UHFFFAOYSA-N
XLogP0.52
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 154273567
4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 142774133
3-amino-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 175581785
4-chloro-1-methylcyclohex-2-ene-1-carboxylic acid
CID 12625643
5-methyl-2H-thiadiazole-5-carboxylic acid
CID 141236455
4-ethynyl-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 150716830
6,6-dimethyl-3,4,5,7-tetrahydroindene-1-carboxylic acid
CID 158249785
3-methyl-1-sulfanylcyclohex-4-ene-1,3-dicarboxylic acid
CID 150252255
2-methyl-4,5-dihydro-3H-pyridine-2,6-dicarboxylic acid
CID 67446312
1-[(1R)-4-bromo-1-methylcyclohexa-2,4-dien-1-yl]ethanone
CID 70965961
5-methyl-4-trimethylsilyl-2H-furan-5-carboxylic acid
CID 85423823
hydron;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;hexafluorophosphate
CID 157267381

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4H-pyridine-2,5-dicarboxylic acid?
The IUPAC name of 5-methyl-4H-pyridine-2,5-dicarboxylic acid (CID 151263653) is 5-methyl-4H-pyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 5-methyl-4H-pyridine-2,5-dicarboxylic acid?
The canonical SMILES for 5-methyl-4H-pyridine-2,5-dicarboxylic acid is CC1(C(=O)O)C=NC(C(=O)O)=CC1.
What is the InChIKey of 5-methyl-4H-pyridine-2,5-dicarboxylic acid?
The InChIKey is NUWKOYYQEPBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-8(7(12)13)3-2-5(6(10)11)9-4-8/h2,4H,3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-4H-pyridine-2,5-dicarboxylic acid?
5-methyl-4H-pyridine-2,5-dicarboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-pyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 151263653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).