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

C16H18BrNO — CID 79169382

IUPAC2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
SMILESCCc1ccc(COc2ccc(C)nc2CBr)cc1
InChIInChI=1S/C16H18BrNO/c1-3-13-5-7-14(8-6-13)11-19-16-9-4-12(2)18-15(16)10-17/h4-9H,3,10-11H2,1-2H3
InChIKeyOUDWYYOJNKLIKN-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.43
Rot. Bonds5

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

2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine (PubChem CID 79169382) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
PubChem CID79169382
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
SMILESCCc1ccc(COc2ccc(C)nc2CBr)cc1
InChIInChI=1S/C16H18BrNO/c1-3-13-5-7-14(8-6-13)11-19-16-9-4-12(2)18-15(16)10-17/h4-9H,3,10-11H2,1-2H3
InChIKeyOUDWYYOJNKLIKN-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.43
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

[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]phenyl]methanol
CID 103175335
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
CID 79168716
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine (CID 79169382) is 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine is CCc1ccc(COc2ccc(C)nc2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine?
The InChIKey is OUDWYYOJNKLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-13-5-7-14(8-6-13)11-19-16-9-4-12(2)18-15(16)10-17/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine?
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine has a molecular weight of 320.23 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79169382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).