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

C7H2BrClF3NO — CID 130109869

IUPAC2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c(C(F)F)nc1Br
InChIInChI=1S/C7H2BrClF3NO/c8-5-2(6(9)14)1-3(10)4(13-5)7(11)12/h1,7H
InChIKeyVQSAZDQLYXIPCP-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride

2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (PubChem CID 130109869) has the molecular formula C7H2BrClF3NO and a molecular weight of 288.45 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
PubChem CID130109869
Molecular FormulaC7H2BrClF3NO
Molecular Weight288.45 g/mol
Exact Mass286.90
IUPAC Name2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c(C(F)F)nc1Br
InChIInChI=1S/C7H2BrClF3NO/c8-5-2(6(9)14)1-3(10)4(13-5)7(11)12/h1,7H
InChIKeyVQSAZDQLYXIPCP-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-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286
2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 119016340
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130095281
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
CID 133105710
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (CID 130109869) is 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is O=C(Cl)c1cc(F)c(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The InChIKey is VQSAZDQLYXIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3NO/c8-5-2(6(9)14)1-3(10)4(13-5)7(11)12/h1,7H.
What are the key properties of 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
2-bromo-6-(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 2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130109869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).