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

C7H3ClF3NO — CID 130096549

IUPAC5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cnc1F
InChIInChI=1S/C7H3ClF3NO/c8-5(13)4-1-3(6(9)10)2-12-7(4)11/h1-2,6H
InChIKeyDWNPLVWHTGQLHR-UHFFFAOYSA-N
MW209.55 g/mol
LogP2.54
Rot. Bonds2

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

5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride (PubChem CID 130096549) has the molecular formula C7H3ClF3NO and a molecular weight of 209.55 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
PubChem CID130096549
Molecular FormulaC7H3ClF3NO
Molecular Weight209.55 g/mol
Exact Mass208.99
IUPAC Name5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)cnc1F
InChIInChI=1S/C7H3ClF3NO/c8-5(13)4-1-3(6(9)10)2-12-7(4)11/h1-2,6H
InChIKeyDWNPLVWHTGQLHR-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 52.54
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

2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130095281
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
5-bromo-2-fluoropyridine-3-carbonyl fluoride
CID 169030811
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
5-(difluoromethyl)-3-hydroxypyridine-2-sulfonamide
CID 130097291
5-(difluoromethyl)pyrimidine-2-carboxylic acid
CID 131194647

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride (CID 130096549) is 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride is O=C(Cl)c1cc(C(F)F)cnc1F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The InChIKey is DWNPLVWHTGQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO/c8-5(13)4-1-3(6(9)10)2-12-7(4)11/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride has a molecular weight of 209.55 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).