6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride

C7H3ClF3NO — CID 130096534

IUPAC6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(F)cc(C(F)F)n1
InChIInChI=1S/C7H3ClF3NO/c8-6(13)4-1-3(9)2-5(12-4)7(10)11/h1-2,7H
InChIKeyDANQPKKDKVNNNO-UHFFFAOYSA-N
MW209.55 g/mol
LogP2.54
Rot. Bonds2

About 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride

6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride (PubChem CID 130096534) has the molecular formula C7H3ClF3NO and a molecular weight of 209.55 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
PubChem CID130096534
Molecular FormulaC7H3ClF3NO
Molecular Weight209.55 g/mol
Exact Mass208.99
IUPAC Name6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(F)cc(C(F)F)n1
InChIInChI=1S/C7H3ClF3NO/c8-6(13)4-1-3(9)2-5(12-4)7(10)11/h1-2,7H
InChIKeyDANQPKKDKVNNNO-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': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 118800727
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
6-(difluoromethyl)-4-iodopyridine-2-carboxamide
CID 118809129
2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride (CID 130096534) is 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride is O=C(Cl)c1cc(F)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride?
The InChIKey is DANQPKKDKVNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO/c8-6(13)4-1-3(9)2-5(12-4)7(10)11/h1-2,7H.
What are the key properties of 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride?
6-(difluoromethyl)-4-fluoropyridine-2-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 6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 130096534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).