5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine

C14H14BrNO2 — CID 113455729

IUPAC5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
SMILESCOc1cc(C)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-10-3-6-13(14(7-10)17-2)18-9-12-5-4-11(15)8-16-12/h3-8H,9H2,1-2H3
InChIKeyISHMXXQOBVCESY-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds4

About 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine

5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine (PubChem CID 113455729) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
PubChem CID113455729
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
SMILESCOc1cc(C)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-10-3-6-13(14(7-10)17-2)18-9-12-5-4-11(15)8-16-12/h3-8H,9H2,1-2H3
InChIKeyISHMXXQOBVCESY-UHFFFAOYSA-N
XLogP3.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
CID 104796365
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
CID 113421381
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
(5-bromo-2-pyridinyl)methyl 2-amino-5-methylbenzoate
CID 115622519
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine (CID 113455729) is 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine is COc1cc(C)ccc1OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine?
The InChIKey is ISHMXXQOBVCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-3-6-13(14(7-10)17-2)18-9-12-5-4-11(15)8-16-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine?
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 113455729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).