5-bromo-2-methylpyridine-4-carbaldehyde

C7H6BrNO — CID 21043931

IUPAC5-bromo-2-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(Br)cn1
InChIInChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)3-9-5/h2-4H,1H3
InChIKeyIQRUPXUQRZVISE-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.97
Rot. Bonds1

About 5-bromo-2-methylpyridine-4-carbaldehyde

5-bromo-2-methylpyridine-4-carbaldehyde (PubChem CID 21043931) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-methylpyridine-4-carbaldehyde
PubChem CID21043931
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name5-bromo-2-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(Br)cn1
InChIInChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)3-9-5/h2-4H,1H3
InChIKeyIQRUPXUQRZVISE-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': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylpyridine-4-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 5-bromo-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-2-methylpyridine-4-carbaldehyde (CID 21043931) is 5-bromo-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-methylpyridine-4-carbaldehyde is Cc1cc(C=O)c(Br)cn1.
What is the InChIKey of 5-bromo-2-methylpyridine-4-carbaldehyde?
The InChIKey is IQRUPXUQRZVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-5-2-6(4-10)7(8)3-9-5/h2-4H,1H3.
What are the key properties of 5-bromo-2-methylpyridine-4-carbaldehyde?
5-bromo-2-methylpyridine-4-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 5-bromo-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 21043931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).