5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride

C8H5BrClF2NO — CID 130098296

IUPAC5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(CBr)cc1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-2-4-1-5(8(11)12)6(7(10)14)13-3-4/h1,3,8H,2H2
InChIKeyRROZTPGAANRHOB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds3

About 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride

5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 130098296) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID130098296
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(CBr)cc1C(F)F
InChIInChI=1S/C8H5BrClF2NO/c9-2-4-1-5(8(11)12)6(7(10)14)13-3-4/h1,3,8H,2H2
InChIKeyRROZTPGAANRHOB-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride 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

4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098302
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride (CID 130098296) is 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride is O=C(Cl)c1ncc(CBr)cc1C(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is RROZTPGAANRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-2-4-1-5(8(11)12)6(7(10)14)13-3-4/h1,3,8H,2H2.
What are the key properties of 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride?
5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 284.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 130098296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).