5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid

C10H12BrNO3 — CID 84730225

IUPAC5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
SMILESCCCc1cc(Br)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-3-4-6-5-7(11)9(13)12(2)8(6)10(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyBQCLWXDQRWDMKE-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.80
Rot. Bonds3

About 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid

5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid (PubChem CID 84730225) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
PubChem CID84730225
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
SMILESCCCc1cc(Br)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-3-4-6-5-7(11)9(13)12(2)8(6)10(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyBQCLWXDQRWDMKE-UHFFFAOYSA-N
XLogP1.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-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 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid (CID 84730225) is 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid is CCCc1cc(Br)c(=O)n(C)c1C(=O)O.
What is the InChIKey of 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The InChIKey is BQCLWXDQRWDMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-4-6-5-7(11)9(13)12(2)8(6)10(14)15/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid has a molecular weight of 274.11 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid is sourced from PubChem (CID 84730225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).