4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride

C7H2Cl3F2NO — CID 130099468

IUPAC4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)ncc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3F2NO/c8-2-1-13-5(7(11)12)3(4(2)9)6(10)14/h1,7H
InChIKeyIRWQPXOSSWVNKF-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.70
Rot. Bonds2

About 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride

4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130099468) has the molecular formula C7H2Cl3F2NO and a molecular weight of 260.45 g/mol. Its IUPAC name is 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130099468
Molecular FormulaC7H2Cl3F2NO
Molecular Weight260.45 g/mol
Exact Mass258.92
IUPAC Name4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)ncc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3F2NO/c8-2-1-13-5(7(11)12)3(4(2)9)6(10)14/h1,7H
InChIKeyIRWQPXOSSWVNKF-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 130110583
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
3,5-dichloro-2-(difluoromethyl)-4-methylpyridine
CID 130099262
4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 118816832
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130099468) is 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)ncc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is IRWQPXOSSWVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3F2NO/c8-2-1-13-5(7(11)12)3(4(2)9)6(10)14/h1,7H.
What are the key properties of 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 260.45 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130099468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).