1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C14H12BrNO3 — CID 62876195

IUPAC1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO3/c1-9-6-7-11(14(18)19)13(17)16(9)8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLIBGLLAURVVASQ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 62876195) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID62876195
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO3/c1-9-6-7-11(14(18)19)13(17)16(9)8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLIBGLLAURVVASQ-UHFFFAOYSA-N
XLogP2.67
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromophenyl)methyl]-6-methyl-2-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-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 62876195) is 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is LIBGLLAURVVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-9-6-7-11(14(18)19)13(17)16(9)8-10-4-2-3-5-12(10)15/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62876195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).