1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone

C14H11BrFNO2 — CID 84600427

IUPAC1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(F)c1OCc1ccccn1
InChIInChI=1S/C14H11BrFNO2/c1-9(18)12-6-10(15)7-13(16)14(12)19-8-11-4-2-3-5-17-11/h2-7H,8H2,1H3
InChIKeyOTFCOACSORLMLV-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.76
Rot. Bonds4

About 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone

1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone (PubChem CID 84600427) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
PubChem CID84600427
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(F)c1OCc1ccccn1
InChIInChI=1S/C14H11BrFNO2/c1-9(18)12-6-10(15)7-13(16)14(12)19-8-11-4-2-3-5-17-11/h2-7H,8H2,1H3
InChIKeyOTFCOACSORLMLV-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone 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

1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 86788128
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
1-[5-bromo-3-nitro-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 116542161
[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 112613013
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
(E)-3-[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 115956988
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
CID 75520371
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
ethane;2-ethylpyridine;propan-2-one
CID 91062133

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone (CID 84600427) is 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone is CC(=O)c1cc(Br)cc(F)c1OCc1ccccn1.
What is the InChIKey of 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone?
The InChIKey is OTFCOACSORLMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-9(18)12-6-10(15)7-13(16)14(12)19-8-11-4-2-3-5-17-11/h2-7H,8H2,1H3.
What are the key properties of 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone?
1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone has a molecular weight of 324.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 84600427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).