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

C8H2Cl2F2N2O — CID 134674147

IUPAC3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESN#Cc1cc(C(=O)Cl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H2Cl2F2N2O/c9-5-4(7(10)15)1-3(2-13)14-6(5)8(11)12/h1,8H
InChIKeyWWUUKDUKLQITJT-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.92
Rot. Bonds2

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

3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride (PubChem CID 134674147) has the molecular formula C8H2Cl2F2N2O and a molecular weight of 251.02 g/mol. Its IUPAC name is 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
PubChem CID134674147
Molecular FormulaC8H2Cl2F2N2O
Molecular Weight251.02 g/mol
Exact Mass249.95
IUPAC Name3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESN#Cc1cc(C(=O)Cl)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H2Cl2F2N2O/c9-5-4(7(10)15)1-3(2-13)14-6(5)8(11)12/h1,8H
InChIKeyWWUUKDUKLQITJT-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

6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502
6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130076877
methyl 2-[3-chloro-6-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684415
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816705
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride?
The IUPAC name of 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride (CID 134674147) is 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride is N#Cc1cc(C(=O)Cl)c(Cl)c(C(F)F)n1.
What is the InChIKey of 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride?
The InChIKey is WWUUKDUKLQITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F2N2O/c9-5-4(7(10)15)1-3(2-13)14-6(5)8(11)12/h1,8H.
What are the key properties of 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride?
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-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 3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride is sourced from PubChem (CID 134674147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).