(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H10BrFO2 — CID 102648565

IUPAC(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1cc(F)ccc1Br
InChIInChI=1S/C12H10BrFO2/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2
InChIKeyWUELABRVESFQSP-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.47
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648565) has the molecular formula C12H10BrFO2 and a molecular weight of 285.11 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648565
Molecular FormulaC12H10BrFO2
Molecular Weight285.11 g/mol
Exact Mass283.98
IUPAC Name(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1cc(F)ccc1Br
InChIInChI=1S/C12H10BrFO2/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2
InChIKeyWUELABRVESFQSP-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)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

(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone
CID 102648620
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648565) is (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is WUELABRVESFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 285.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).