4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine

C13H11BrFNO — CID 112613976

IUPAC4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
SMILESFc1cccc(CBr)c1OCc1ccncc1
InChIInChI=1S/C13H11BrFNO/c14-8-11-2-1-3-12(15)13(11)17-9-10-4-6-16-7-5-10/h1-7H,8-9H2
InChIKeyLAUMSOMXZWQMBS-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.69
Rot. Bonds4

About 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine

4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine (PubChem CID 112613976) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
PubChem CID112613976
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
SMILESFc1cccc(CBr)c1OCc1ccncc1
InChIInChI=1S/C13H11BrFNO/c14-8-11-2-1-3-12(15)13(11)17-9-10-4-6-16-7-5-10/h1-7H,8-9H2
InChIKeyLAUMSOMXZWQMBS-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
CID 112614060
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
3-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-fluorobenzonitrile
CID 115956787

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine (CID 112613976) is 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine is Fc1cccc(CBr)c1OCc1ccncc1.
What is the InChIKey of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine?
The InChIKey is LAUMSOMXZWQMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-8-11-2-1-3-12(15)13(11)17-9-10-4-6-16-7-5-10/h1-7H,8-9H2.
What are the key properties of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine?
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine has a molecular weight of 296.14 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine is sourced from PubChem (CID 112613976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).