2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine

C13H18BrNO2 — CID 103135403

IUPAC2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine
SMILESCc1ccc(OCC2CCC(C)O2)c(CBr)n1
InChIInChI=1S/C13H18BrNO2/c1-9-3-6-13(12(7-14)15-9)16-8-11-5-4-10(2)17-11/h3,6,10-11H,4-5,7-8H2,1-2H3
InChIKeyPUSDAOSIVQUSBT-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.23
Rot. Bonds4

About 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine

2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine (PubChem CID 103135403) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine
PubChem CID103135403
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine
SMILESCc1ccc(OCC2CCC(C)O2)c(CBr)n1
InChIInChI=1S/C13H18BrNO2/c1-9-3-6-13(12(7-14)15-9)16-8-11-5-4-10(2)17-11/h3,6,10-11H,4-5,7-8H2,1-2H3
InChIKeyPUSDAOSIVQUSBT-UHFFFAOYSA-N
XLogP3.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine (CID 103135403) is 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine is Cc1ccc(OCC2CCC(C)O2)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine?
The InChIKey is PUSDAOSIVQUSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-3-6-13(12(7-14)15-9)16-8-11-5-4-10(2)17-11/h3,6,10-11H,4-5,7-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine?
2-(bromomethyl)-6-methyl-3-[(5-methyloxolan-2-yl)methoxy]pyridine has a molecular weight of 300.20 g/mol, XLogP of 3.23, 4 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-[(5-methyloxolan-2-yl)methoxy]pyridine is sourced from PubChem (CID 103135403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).