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

C12H7ClF3NO2 — CID 106971961

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)nc2Cl)co1
InChIInChI=1S/C12H7ClF3NO2/c1-6-4-7(5-19-6)10(18)8-2-3-9(12(14,15)16)17-11(8)13/h2-5H,1H3
InChIKeyQQCLBGDVUVSHOS-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.89
Rot. Bonds2

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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone (PubChem CID 106971961) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
PubChem CID106971961
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)nc2Cl)co1
InChIInChI=1S/C12H7ClF3NO2/c1-6-4-7(5-19-6)10(18)8-2-3-9(12(14,15)16)17-11(8)13/h2-5H,1H3
InChIKeyQQCLBGDVUVSHOS-UHFFFAOYSA-N
XLogP3.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.89
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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methyl-3-pyridinyl)methanone
CID 106971912
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
(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
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
(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-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
CID 106971855
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone (CID 106971961) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccc(C(F)(F)F)nc2Cl)co1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone?
The InChIKey is QQCLBGDVUVSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c1-6-4-7(5-19-6)10(18)8-2-3-9(12(14,15)16)17-11(8)13/h2-5H,1H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone has a molecular weight of 289.64 g/mol, XLogP of 3.89, 2 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-methylfuran-3-yl)methanone is sourced from PubChem (CID 106971961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).