5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride

C7H2BrCl2F2NO — CID 130108415

IUPAC5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(Br)c(Cl)nc1C(F)F
InChIInChI=1S/C7H2BrCl2F2NO/c8-3-1-2(6(10)14)4(7(11)12)13-5(3)9/h1,7H
InChIKeyNRDBBCRIXOTGRZ-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.81
Rot. Bonds2

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

5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130108415) has the molecular formula C7H2BrCl2F2NO and a molecular weight of 304.91 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130108415
Molecular FormulaC7H2BrCl2F2NO
Molecular Weight304.91 g/mol
Exact Mass302.87
IUPAC Name5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(Br)c(Cl)nc1C(F)F
InChIInChI=1S/C7H2BrCl2F2NO/c8-3-1-2(6(10)14)4(7(11)12)13-5(3)9/h1,7H
InChIKeyNRDBBCRIXOTGRZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.81
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-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109869
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
CID 130068532
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
5-bromo-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130107859
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130108415) is 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1cc(Br)c(Cl)nc1C(F)F.
What is the InChIKey of 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is NRDBBCRIXOTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F2NO/c8-3-1-2(6(10)14)4(7(11)12)13-5(3)9/h1,7H.
What are the key properties of 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 304.91 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130108415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).