[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone

C13H5ClF5NO — CID 106971906

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5ClF5NO/c14-12-9(1-2-10(20-12)13(17,18)19)11(21)6-3-7(15)5-8(16)4-6/h1-5H
InChIKeyYBCAXCMORQBWBJ-UHFFFAOYSA-N
MW321.63 g/mol
LogP4.26
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone (PubChem CID 106971906) has the molecular formula C13H5ClF5NO and a molecular weight of 321.63 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
PubChem CID106971906
Molecular FormulaC13H5ClF5NO
Molecular Weight321.63 g/mol
Exact Mass321.00
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5ClF5NO/c14-12-9(1-2-10(20-12)13(17,18)19)11(21)6-3-7(15)5-8(16)4-6/h1-5H
InChIKeyYBCAXCMORQBWBJ-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
CID 106971961
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methyl-3-pyridinyl)methanone
CID 106971912
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone (CID 106971906) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone?
The InChIKey is YBCAXCMORQBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF5NO/c14-12-9(1-2-10(20-12)13(17,18)19)11(21)6-3-7(15)5-8(16)4-6/h1-5H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone has a molecular weight of 321.63 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 106971906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).