2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine

C14H20BrNO2 — CID 79169209

IUPAC2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine
SMILESCc1ccc(OCCCC2CCCO2)c(CBr)n1
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-14(13(10-15)16-11)18-9-3-5-12-4-2-8-17-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyTYIXYRIDXXABSV-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.62
Rot. Bonds6

About 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine

2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine (PubChem CID 79169209) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine
PubChem CID79169209
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine
SMILESCc1ccc(OCCCC2CCCO2)c(CBr)n1
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-14(13(10-15)16-11)18-9-3-5-12-4-2-8-17-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyTYIXYRIDXXABSV-UHFFFAOYSA-N
XLogP3.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
2-[3-[4-(bromomethyl)-2-ethoxyphenoxy]propyl]oxolane
CID 65163140
2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103135403
2-[3-[2-(bromomethyl)-6-methylphenoxy]propyl]oxolane
CID 112614116
5-bromo-2-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 83146040
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103
2-(bromomethyl)-3-(cyclopropylmethoxymethoxy)-6-methylpyridine
CID 106929907
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine (CID 79169209) is 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine is Cc1ccc(OCCCC2CCCO2)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine?
The InChIKey is TYIXYRIDXXABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-6-7-14(13(10-15)16-11)18-9-3-5-12-4-2-8-17-12/h6-7,12H,2-5,8-10H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine?
2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine has a molecular weight of 314.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine is sourced from PubChem (CID 79169209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).