2-bromo-6-methylpyridine-4-carboxamide

C7H7BrN2O — CID 87482032

IUPAC2-bromo-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(Br)n1
InChIInChI=1S/C7H7BrN2O/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKeyMDCCEYTWPBXWSF-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.25
Rot. Bonds1

About 2-bromo-6-methylpyridine-4-carboxamide

2-bromo-6-methylpyridine-4-carboxamide (PubChem CID 87482032) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-6-methylpyridine-4-carboxamide
PubChem CID87482032
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name2-bromo-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(Br)n1
InChIInChI=1S/C7H7BrN2O/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKeyMDCCEYTWPBXWSF-UHFFFAOYSA-N
XLogP1.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylpyridine-4-carboxamide 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 2-bromo-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-6-methylpyridine-4-carboxamide (CID 87482032) is 2-bromo-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-6-methylpyridine-4-carboxamide is Cc1cc(C(N)=O)cc(Br)n1.
What is the InChIKey of 2-bromo-6-methylpyridine-4-carboxamide?
The InChIKey is MDCCEYTWPBXWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3,(H2,9,11).
What are the key properties of 2-bromo-6-methylpyridine-4-carboxamide?
2-bromo-6-methylpyridine-4-carboxamide has a molecular weight of 215.05 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 87482032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).