2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

C13H20BrNO2 — CID 112590230

IUPAC2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCc1ccc(OCCOC(C)(C)C)c(CBr)n1
InChIInChI=1S/C13H20BrNO2/c1-10-5-6-12(11(9-14)15-10)16-7-8-17-13(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeySKPVAOHZSKJOOG-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.48
Rot. Bonds5

About 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (PubChem CID 112590230) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
PubChem CID112590230
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCc1ccc(OCCOC(C)(C)C)c(CBr)n1
InChIInChI=1S/C13H20BrNO2/c1-10-5-6-12(11(9-14)15-10)16-7-8-17-13(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeySKPVAOHZSKJOOG-UHFFFAOYSA-N
XLogP3.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.48
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-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611
2-(bromomethyl)-6-methyl-3-(2-propan-2-ylsulfonylethoxy)pyridine
CID 106726592
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 79169387
2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine
CID 79169783
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
2-(bromomethyl)-6-methyl-3-[3-(oxolan-2-yl)propoxy]pyridine
CID 79169209
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (CID 112590230) is 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is Cc1ccc(OCCOC(C)(C)C)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The InChIKey is SKPVAOHZSKJOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10-5-6-12(11(9-14)15-10)16-7-8-17-13(2,3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of 2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine has a molecular weight of 302.21 g/mol, XLogP of 3.48, 5 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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is sourced from PubChem (CID 112590230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).