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

C8H2ClF3N2O — CID 134675135

IUPAC6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
SMILESN#Cc1nc(C(=O)Cl)c(C(F)F)cc1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)6-3(8(11)12)1-4(10)5(2-13)14-6/h1,8H
InChIKeyNXIMOPVCWZLTLH-UHFFFAOYSA-N
MW234.56 g/mol
LogP2.41
Rot. Bonds2

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

6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride (PubChem CID 134675135) has the molecular formula C8H2ClF3N2O and a molecular weight of 234.56 g/mol. Its IUPAC name is 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
PubChem CID134675135
Molecular FormulaC8H2ClF3N2O
Molecular Weight234.56 g/mol
Exact Mass233.98
IUPAC Name6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
SMILESN#Cc1nc(C(=O)Cl)c(C(F)F)cc1F
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)6-3(8(11)12)1-4(10)5(2-13)14-6/h1,8H
InChIKeyNXIMOPVCWZLTLH-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

5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 130078133
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130076337
6-(difluoromethyl)-3,5-difluoropyridine-2-carbonitrile
CID 119013699

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride (CID 134675135) is 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride is N#Cc1nc(C(=O)Cl)c(C(F)F)cc1F.
What is the InChIKey of 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride?
The InChIKey is NXIMOPVCWZLTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2O/c9-7(15)6-3(8(11)12)1-4(10)5(2-13)14-6/h1,8H.
What are the key properties of 6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride?
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-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-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 134675135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).