6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde

C8H5BrClF2NO — CID 118821339

IUPAC6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C8H5BrClF2NO/c9-1-5-6(8(11)12)7(10)4(3-14)2-13-5/h2-3,8H,1H2
InChIKeyWFEFRQCPTQSJRO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.38
Rot. Bonds3

About 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde

6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118821339) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118821339
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C8H5BrClF2NO/c9-1-5-6(8(11)12)7(10)4(3-14)2-13-5/h2-3,8H,1H2
InChIKeyWFEFRQCPTQSJRO-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-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

Related Compounds

6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118807298
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
2-(bromomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118849606
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 118821339) is 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1cnc(CBr)c(C(F)F)c1Cl.
What is the InChIKey of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is WFEFRQCPTQSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-1-5-6(8(11)12)7(10)4(3-14)2-13-5/h2-3,8H,1H2.
What are the key properties of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118821339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).