(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C11H5BrF3NO2 — CID 105101646

IUPAC(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cn1)c1occc1Br
InChIInChI=1S/C11H5BrF3NO2/c12-7-3-4-18-10(7)9(17)8-2-1-6(5-16-8)11(13,14)15/h1-5H
InChIKeyQBQAUZDBNNFMTK-UHFFFAOYSA-N
MW320.06 g/mol
LogP3.69
Rot. Bonds2

About (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 105101646) has the molecular formula C11H5BrF3NO2 and a molecular weight of 320.06 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID105101646
Molecular FormulaC11H5BrF3NO2
Molecular Weight320.06 g/mol
Exact Mass318.95
IUPAC Name(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cn1)c1occc1Br
InChIInChI=1S/C11H5BrF3NO2/c12-7-3-4-18-10(7)9(17)8-2-1-6(5-16-8)11(13,14)15/h1-5H
InChIKeyQBQAUZDBNNFMTK-UHFFFAOYSA-N
XLogP3.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.06
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 112744196
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 63943403
(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105085929
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101077
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 90399283
2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105121300
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 105101646) is (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)cn1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is QBQAUZDBNNFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO2/c12-7-3-4-18-10(7)9(17)8-2-1-6(5-16-8)11(13,14)15/h1-5H.
What are the key properties of (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 320.06 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 105101646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).