2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde

C9H8BrF2NO2 — CID 118810017

IUPAC2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
SMILESCOc1c(C=O)cc(C(F)F)nc1CBr
InChIInChI=1S/C9H8BrF2NO2/c1-15-8-5(4-14)2-6(9(11)12)13-7(8)3-10/h2,4,9H,3H2,1H3
InChIKeyRNBUJRZSRIJJQY-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.74
Rot. Bonds4

About 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde

2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde (PubChem CID 118810017) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
PubChem CID118810017
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
SMILESCOc1c(C=O)cc(C(F)F)nc1CBr
InChIInChI=1S/C9H8BrF2NO2/c1-15-8-5(4-14)2-6(9(11)12)13-7(8)3-10/h2,4,9H,3H2,1H3
InChIKeyRNBUJRZSRIJJQY-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-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

Related Compounds

2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
CID 118843944
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
3-(bromomethyl)-6-(difluoromethyl)-4-formylpyridine-2-carbonitrile
CID 130078956
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde (CID 118810017) is 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde is COc1c(C=O)cc(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde?
The InChIKey is RNBUJRZSRIJJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-15-8-5(4-14)2-6(9(11)12)13-7(8)3-10/h2,4,9H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde?
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde has a molecular weight of 280.07 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 118810017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).