3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine

C13H12BrNO2 — CID 115580496

IUPAC3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
SMILESCOc1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H12BrNO2/c1-16-12-4-2-3-5-13(12)17-9-10-6-11(14)8-15-7-10/h2-8H,9H2,1H3
InChIKeyVRKMBVRHCFNEFS-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.43
Rot. Bonds4

About 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine

3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine (PubChem CID 115580496) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
PubChem CID115580496
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
SMILESCOc1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H12BrNO2/c1-16-12-4-2-3-5-13(12)17-9-10-6-11(14)8-15-7-10/h2-8H,9H2,1H3
InChIKeyVRKMBVRHCFNEFS-UHFFFAOYSA-N
XLogP3.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
CID 104798690
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
2-amino-5-[(5-bromo-3-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104800203
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine (CID 115580496) is 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine is COc1ccccc1OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine?
The InChIKey is VRKMBVRHCFNEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-16-12-4-2-3-5-13(12)17-9-10-6-11(14)8-15-7-10/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine?
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine has a molecular weight of 294.15 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 115580496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).