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

C8H2ClF3N2O — CID 134684536

IUPAC6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESN#Cc1ncc(C(=O)Cl)c(C(F)F)c1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)3-2-14-4(1-13)6(10)5(3)8(11)12/h2,8H
InChIKeySLJXUEAKEZKMAH-UHFFFAOYSA-N
MW234.56 g/mol
LogP2.41
Rot. Bonds2

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

6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (PubChem CID 134684536) has the molecular formula C8H2ClF3N2O and a molecular weight of 234.56 g/mol. Its IUPAC name is 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
PubChem CID134684536
Molecular FormulaC8H2ClF3N2O
Molecular Weight234.56 g/mol
Exact Mass233.98
IUPAC Name6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESN#Cc1ncc(C(=O)Cl)c(C(F)F)c1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)3-2-14-4(1-13)6(10)5(3)8(11)12/h2,8H
InChIKeySLJXUEAKEZKMAH-UHFFFAOYSA-N
XLogP2.41
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.56
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134662470
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130070958
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
5-(bromomethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079002

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (CID 134684536) is 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is N#Cc1ncc(C(=O)Cl)c(C(F)F)c1F.
What is the InChIKey of 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The InChIKey is SLJXUEAKEZKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2O/c9-7(15)3-2-14-4(1-13)6(10)5(3)8(11)12/h2,8H.
What are the key properties of 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride has a molecular weight of 234.56 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 134684536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).