2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine

C15H15BrFNO2 — CID 79168710

IUPAC2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
SMILESCOc1ccc(COc2ccc(C)nc2CBr)cc1F
InChIInChI=1S/C15H15BrFNO2/c1-10-3-5-15(13(8-16)18-10)20-9-11-4-6-14(19-2)12(17)7-11/h3-7H,8-9H2,1-2H3
InChIKeyDVQFDZMCUJWBJN-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.01
Rot. Bonds5

About 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine

2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine (PubChem CID 79168710) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
PubChem CID79168710
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
SMILESCOc1ccc(COc2ccc(C)nc2CBr)cc1F
InChIInChI=1S/C15H15BrFNO2/c1-10-3-5-15(13(8-16)18-10)20-9-11-4-6-14(19-2)12(17)7-11/h3-7H,8-9H2,1-2H3
InChIKeyDVQFDZMCUJWBJN-UHFFFAOYSA-N
XLogP4.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
CID 62047655
2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine (CID 79168710) is 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine is COc1ccc(COc2ccc(C)nc2CBr)cc1F.
What is the InChIKey of 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine?
The InChIKey is DVQFDZMCUJWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-10-3-5-15(13(8-16)18-10)20-9-11-4-6-14(19-2)12(17)7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine?
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine has a molecular weight of 340.19 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79168710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).