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

C7H3BrClF2NO — CID 130095281

IUPAC2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cnc1Br
InChIInChI=1S/C7H3BrClF2NO/c8-5-4(6(9)13)1-3(2-12-5)7(10)11/h1-2,7H
InChIKeyMASGBFOCOHJLBG-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.16
Rot. Bonds2

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

2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130095281) has the molecular formula C7H3BrClF2NO and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130095281
Molecular FormulaC7H3BrClF2NO
Molecular Weight270.46 g/mol
Exact Mass268.91
IUPAC Name2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cnc1Br
InChIInChI=1S/C7H3BrClF2NO/c8-5-4(6(9)13)1-3(2-12-5)7(10)11/h1-2,7H
InChIKeyMASGBFOCOHJLBG-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130096549
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
2-bromo-5-(difluoromethyl)-3-fluoropyridine
CID 119021158
2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109869
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
5-(difluoromethyl)pyrimidine-2-carboxylic acid
CID 131194647

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130095281) is 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1cc(C(F)F)cnc1Br.
What is the InChIKey of 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is MASGBFOCOHJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO/c8-5-4(6(9)13)1-3(2-12-5)7(10)11/h1-2,7H.
What are the key properties of 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 270.46 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130095281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).