5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine

C16H18BrNO2 — CID 107087634

IUPAC5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
SMILESCOCCc1ccc(Oc2ncc(CBr)cc2C)cc1
InChIInChI=1S/C16H18BrNO2/c1-12-9-14(10-17)11-18-16(12)20-15-5-3-13(4-6-15)7-8-19-2/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeySMDNDWOTAASJDH-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.27
Rot. Bonds6

About 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine

5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine (PubChem CID 107087634) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
PubChem CID107087634
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
SMILESCOCCc1ccc(Oc2ncc(CBr)cc2C)cc1
InChIInChI=1S/C16H18BrNO2/c1-12-9-14(10-17)11-18-16(12)20-15-5-3-13(4-6-15)7-8-19-2/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeySMDNDWOTAASJDH-UHFFFAOYSA-N
XLogP4.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.27
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

5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
2-[4-(2-methoxyethyl)phenoxy]-5-methylpyridin-4-amine
CID 83267065
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine (CID 107087634) is 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine is COCCc1ccc(Oc2ncc(CBr)cc2C)cc1.
What is the InChIKey of 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine?
The InChIKey is SMDNDWOTAASJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-12-9-14(10-17)11-18-16(12)20-15-5-3-13(4-6-15)7-8-19-2/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine?
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine has a molecular weight of 336.23 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine is sourced from PubChem (CID 107087634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).