6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride

C7H2BrClF3NO — CID 130109853

IUPAC6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H2BrClF3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H
InChIKeyUKFDIGHRCCZMPS-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.30
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride

6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (PubChem CID 130109853) has the molecular formula C7H2BrClF3NO and a molecular weight of 288.45 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
PubChem CID130109853
Molecular FormulaC7H2BrClF3NO
Molecular Weight288.45 g/mol
Exact Mass286.90
IUPAC Name6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H2BrClF3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H
InChIKeyUKFDIGHRCCZMPS-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 53.30
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

6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130095281
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118999761
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (CID 130109853) is 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is O=C(Cl)c1cnc(Br)c(F)c1C(F)F.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The InChIKey is UKFDIGHRCCZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride has a molecular weight of 288.45 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130109853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).