5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride

C8H2Cl2F2N2O — CID 134662535

IUPAC5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESN#Cc1nc(C(=O)Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C8H2Cl2F2N2O/c9-6-3(8(11)12)1-4(7(10)15)14-5(6)2-13/h1,8H
InChIKeyVBLWELJJUYXACE-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.92
Rot. Bonds2

About 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride

5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 134662535) has the molecular formula C8H2Cl2F2N2O and a molecular weight of 251.02 g/mol. Its IUPAC name is 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID134662535
Molecular FormulaC8H2Cl2F2N2O
Molecular Weight251.02 g/mol
Exact Mass249.95
IUPAC Name5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESN#Cc1nc(C(=O)Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C8H2Cl2F2N2O/c9-6-3(8(11)12)1-4(7(10)15)14-5(6)2-13/h1,8H
InChIKeyVBLWELJJUYXACE-UHFFFAOYSA-N
XLogP2.92
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 52.92
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

3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
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-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride (CID 134662535) is 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride is N#Cc1nc(C(=O)Cl)cc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is VBLWELJJUYXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F2N2O/c9-6-3(8(11)12)1-4(7(10)15)14-5(6)2-13/h1,8H.
What are the key properties of 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride?
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 251.02 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134662535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).