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

C7H2Cl2F3NO — CID 130072079

IUPAC6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)c(F)c1C(F)F
InChIInChI=1S/C7H2Cl2F3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H
InChIKeyOIRMZXZSOUHZCT-UHFFFAOYSA-N
MW244.00 g/mol
LogP3.19
Rot. Bonds2

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

6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (PubChem CID 130072079) has the molecular formula C7H2Cl2F3NO and a molecular weight of 244.00 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
PubChem CID130072079
Molecular FormulaC7H2Cl2F3NO
Molecular Weight244.00 g/mol
Exact Mass242.95
IUPAC Name6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)c(F)c1C(F)F
InChIInChI=1S/C7H2Cl2F3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H
InChIKeyOIRMZXZSOUHZCT-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.00
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103047
4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
CID 118839727
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
6-chloro-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 118998226
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride (CID 130072079) is 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is O=C(Cl)c1cnc(Cl)c(F)c1C(F)F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
The InChIKey is OIRMZXZSOUHZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3NO/c8-5-4(10)3(7(11)12)2(1-13-5)6(9)14/h1,7H.
What are the key properties of 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride?
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride has a molecular weight of 244.00 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130072079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).