4-amino-5-bromo-2-methylpyridine-3-carboxylic acid

C7H7BrN2O2 — CID 142411645

IUPAC4-amino-5-bromo-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(Br)c(N)c1C(=O)O
InChIInChI=1S/C7H7BrN2O2/c1-3-5(7(11)12)6(9)4(8)2-10-3/h2H,1H3,(H2,9,10)(H,11,12)
InChIKeyPNGDYGYCWPNYPB-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.43
Rot. Bonds1

About 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid

4-amino-5-bromo-2-methylpyridine-3-carboxylic acid (PubChem CID 142411645) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-bromo-2-methylpyridine-3-carboxylic acid
PubChem CID142411645
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name4-amino-5-bromo-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(Br)c(N)c1C(=O)O
InChIInChI=1S/C7H7BrN2O2/c1-3-5(7(11)12)6(9)4(8)2-10-3/h2H,1H3,(H2,9,10)(H,11,12)
InChIKeyPNGDYGYCWPNYPB-UHFFFAOYSA-N
XLogP1.43
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-bromo-2-methylpyridine-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 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid (CID 142411645) is 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid is Cc1ncc(Br)c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid?
The InChIKey is PNGDYGYCWPNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-3-5(7(11)12)6(9)4(8)2-10-3/h2H,1H3,(H2,9,10)(H,11,12).
What are the key properties of 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid?
4-amino-5-bromo-2-methylpyridine-3-carboxylic acid has a molecular weight of 231.05 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 142411645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).