[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone

C13H9ClF3NOS — CID 106971855

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)s1
InChIInChI=1S/C13H9ClF3NOS/c1-2-7-3-5-9(20-7)11(19)8-4-6-10(13(15,16)17)18-12(8)14/h3-6H,2H2,1H3
InChIKeyCTXSJLUTUOIZTD-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.61
Rot. Bonds3

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 106971855) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
PubChem CID106971855
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)s1
InChIInChI=1S/C13H9ClF3NOS/c1-2-7-3-5-9(20-7)11(19)8-4-6-10(13(15,16)17)18-12(8)14/h3-6H,2H2,1H3
InChIKeyCTXSJLUTUOIZTD-UHFFFAOYSA-N
XLogP4.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
CID 106971961
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 106971859
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
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
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone (CID 106971855) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)s1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is CTXSJLUTUOIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-2-7-3-5-9(20-7)11(19)8-4-6-10(13(15,16)17)18-12(8)14/h3-6H,2H2,1H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone has a molecular weight of 319.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 106971855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).