2-bromo-5-methylpyridine-3-carbaldehyde

C7H6BrNO — CID 70701053

IUPAC2-bromo-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(Br)c(C=O)c1
InChIInChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)9-3-5/h2-4H,1H3
InChIKeyQLLFQJCGEWXUKX-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.97
Rot. Bonds1

About 2-bromo-5-methylpyridine-3-carbaldehyde

2-bromo-5-methylpyridine-3-carbaldehyde (PubChem CID 70701053) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 2-bromo-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-methylpyridine-3-carbaldehyde
PubChem CID70701053
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name2-bromo-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(Br)c(C=O)c1
InChIInChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)9-3-5/h2-4H,1H3
InChIKeyQLLFQJCGEWXUKX-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methylpyridine-3-carbaldehyde 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-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-bromo-5-methylpyridine-3-carbaldehyde (CID 70701053) is 2-bromo-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-bromo-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-bromo-5-methylpyridine-3-carbaldehyde is Cc1cnc(Br)c(C=O)c1.
What is the InChIKey of 2-bromo-5-methylpyridine-3-carbaldehyde?
The InChIKey is QLLFQJCGEWXUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)9-3-5/h2-4H,1H3.
What are the key properties of 2-bromo-5-methylpyridine-3-carbaldehyde?
2-bromo-5-methylpyridine-3-carbaldehyde has a molecular weight of 200.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 70701053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).