2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine

C15H16BrNO2 — CID 83133204

IUPAC2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10-6-13(4-5-15(10)16)19-9-12-8-14(18-3)7-11(2)17-12/h4-8H,9H2,1-3H3
InChIKeyBYTCJJNYXXZFKQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.05
Rot. Bonds4

About 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine

2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine (PubChem CID 83133204) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
PubChem CID83133204
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H16BrNO2/c1-10-6-13(4-5-15(10)16)19-9-12-8-14(18-3)7-11(2)17-12/h4-8H,9H2,1-3H3
InChIKeyBYTCJJNYXXZFKQ-UHFFFAOYSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
CID 83136870
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine (CID 83133204) is 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(COc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine?
The InChIKey is BYTCJJNYXXZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-6-13(4-5-15(10)16)19-9-12-8-14(18-3)7-11(2)17-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine?
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine has a molecular weight of 322.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 83133204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).