1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid

C10H11NO3 — CID 141085188

IUPAC1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cn(C2CC2)c1=O
InChIInChI=1S/C10H11NO3/c1-6-4-7(10(13)14)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,13,14)
InChIKeyKIAMDHSAANEEQU-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.19
Rot. Bonds2

About 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid

1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 141085188) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID141085188
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cn(C2CC2)c1=O
InChIInChI=1S/C10H11NO3/c1-6-4-7(10(13)14)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,13,14)
InChIKeyKIAMDHSAANEEQU-UHFFFAOYSA-N
XLogP1.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid (CID 141085188) is 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid is Cc1cc(C(=O)O)cn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is KIAMDHSAANEEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-7(10(13)14)5-11(9(6)12)8-2-3-8/h4-5,8H,2-3H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid?
1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 141085188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).