1-methyl-2-oxopyridine-4-carboxylic acid

C7H7NO3 — CID 819923

IUPAC1-methyl-2-oxopyridine-4-carboxylic acid
SMILESCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
InChIKeyXUKWOJNDLIOXSC-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.08
Rot. Bonds1

About 1-methyl-2-oxopyridine-4-carboxylic acid

1-methyl-2-oxopyridine-4-carboxylic acid (PubChem CID 819923) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-methyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxopyridine-4-carboxylic acid
PubChem CID819923
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-methyl-2-oxopyridine-4-carboxylic acid
SMILESCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
InChIKeyXUKWOJNDLIOXSC-UHFFFAOYSA-N
XLogP0.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxopyridine-4-carboxylic acid (CID 819923) is 1-methyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxopyridine-4-carboxylic acid is Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-methyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is XUKWOJNDLIOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11).
What are the key properties of 1-methyl-2-oxopyridine-4-carboxylic acid?
1-methyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 819923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).