2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride

C7H2Cl2F3NO — CID 53256666

IUPAC2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H2Cl2F3NO/c8-5-3(6(9)14)1-2-4(13-5)7(10,11)12/h1-2H
InChIKeyWPPJGHKCGNVACP-UHFFFAOYSA-N
MW244.00 g/mol
LogP3.13
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride

2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 53256666) has the molecular formula C7H2Cl2F3NO and a molecular weight of 244.00 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID53256666
Molecular FormulaC7H2Cl2F3NO
Molecular Weight244.00 g/mol
Exact Mass242.95
IUPAC Name2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H2Cl2F3NO/c8-5-3(6(9)14)1-2-4(13-5)7(10,11)12/h1-2H
InChIKeyWPPJGHKCGNVACP-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.00
LogP ≤ 53.13
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-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157313543
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
CID 106971887
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 53256666) is 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is WPPJGHKCGNVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3NO/c8-5-3(6(9)14)1-2-4(13-5)7(10,11)12/h1-2H.
What are the key properties of 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 244.00 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 53256666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).