(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C11H5BrF3NO2 — CID 102709568

IUPAC(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Br)o1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H5BrF3NO2/c12-9-2-1-8(18-9)10(17)6-5-16-4-3-7(6)11(13,14)15/h1-5H
InChIKeyFTQYKSIGKITBPA-UHFFFAOYSA-N
MW320.06 g/mol
LogP3.69
Rot. Bonds2

About (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709568) has the molecular formula C11H5BrF3NO2 and a molecular weight of 320.06 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709568
Molecular FormulaC11H5BrF3NO2
Molecular Weight320.06 g/mol
Exact Mass318.95
IUPAC Name(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Br)o1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H5BrF3NO2/c12-9-2-1-8(18-9)10(17)6-5-16-4-3-7(6)11(13,14)15/h1-5H
InChIKeyFTQYKSIGKITBPA-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

Analyze (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707725
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 103450414
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709472
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709568) is (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(Br)o1)c1cnccc1C(F)(F)F.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is FTQYKSIGKITBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO2/c12-9-2-1-8(18-9)10(17)6-5-16-4-3-7(6)11(13,14)15/h1-5H.
What are the key properties of (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-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 (5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).