4-bromo-2-[(3-fluorophenyl)methoxy]pyridine

C12H9BrFNO — CID 124928542

IUPAC4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
SMILESFc1cccc(COc2cc(Br)ccn2)c1
InChIInChI=1S/C12H9BrFNO/c13-10-4-5-15-12(7-10)16-8-9-2-1-3-11(14)6-9/h1-7H,8H2
InChIKeyZMYKDPCVAGSJAF-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.56
Rot. Bonds3

About 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine

4-bromo-2-[(3-fluorophenyl)methoxy]pyridine (PubChem CID 124928542) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
PubChem CID124928542
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
SMILESFc1cccc(COc2cc(Br)ccn2)c1
InChIInChI=1S/C12H9BrFNO/c13-10-4-5-15-12(7-10)16-8-9-2-1-3-11(14)6-9/h1-7H,8H2
InChIKeyZMYKDPCVAGSJAF-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)methoxy]pyridazine
CID 171984777
4-bromo-2-[(2-fluorophenyl)methoxy]pyridine
CID 124927405
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
4-bromo-2-ethoxypyridine
CID 2762557
6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
CID 82825459
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine?
The IUPAC name of 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine (CID 124928542) is 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine.
What is the SMILES notation for 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine?
The canonical SMILES for 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine is Fc1cccc(COc2cc(Br)ccn2)c1.
What is the InChIKey of 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine?
The InChIKey is ZMYKDPCVAGSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-10-4-5-15-12(7-10)16-8-9-2-1-3-11(14)6-9/h1-7H,8H2.
What are the key properties of 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine?
4-bromo-2-[(3-fluorophenyl)methoxy]pyridine has a molecular weight of 282.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-fluorophenyl)methoxy]pyridine is sourced from PubChem (CID 124928542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).