6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride

C8H2BrClF2N2O — CID 134662971

IUPAC6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESN#Cc1nc(Br)cc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H2BrClF2N2O/c9-5-1-3(7(10)15)6(8(11)12)4(2-13)14-5/h1,8H
InChIKeyOFHUFTJYLWNCPO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.03
Rot. Bonds2

About 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride

6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride (PubChem CID 134662971) has the molecular formula C8H2BrClF2N2O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
PubChem CID134662971
Molecular FormulaC8H2BrClF2N2O
Molecular Weight295.47 g/mol
Exact Mass293.90
IUPAC Name6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESN#Cc1nc(Br)cc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H2BrClF2N2O/c9-5-1-3(7(10)15)6(8(11)12)4(2-13)14-5/h1,8H
InChIKeyOFHUFTJYLWNCPO-UHFFFAOYSA-N
XLogP3.03
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134677832
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride?
The IUPAC name of 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride (CID 134662971) is 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride.
What is the SMILES notation for 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride?
The canonical SMILES for 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride is N#Cc1nc(Br)cc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride?
The InChIKey is OFHUFTJYLWNCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrClF2N2O/c9-5-1-3(7(10)15)6(8(11)12)4(2-13)14-5/h1,8H.
What are the key properties of 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride?
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride has a molecular weight of 295.47 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride is sourced from PubChem (CID 134662971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).