5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine

C12H18BrNO — CID 104809745

IUPAC5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
SMILESCC(C)CC(C)OCc1ccc(Br)cn1
InChIInChI=1S/C12H18BrNO/c1-9(2)6-10(3)15-8-12-5-4-11(13)7-14-12/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyWNMCHEVFZFVIJZ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.80
Rot. Bonds5

About 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine

5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine (PubChem CID 104809745) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
PubChem CID104809745
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
SMILESCC(C)CC(C)OCc1ccc(Br)cn1
InChIInChI=1S/C12H18BrNO/c1-9(2)6-10(3)15-8-12-5-4-11(13)7-14-12/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyWNMCHEVFZFVIJZ-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
CID 104796365
(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
CID 174977338
(5-bromo-2-pyridinyl)methyl diethyl phosphate
CID 159956627
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 104796427
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865142
5-bromo-2-(3-methylbutylsulfanylmethyl)pyridine
CID 103931443
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine?
The IUPAC name of 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine (CID 104809745) is 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine is CC(C)CC(C)OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine?
The InChIKey is WNMCHEVFZFVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(2)6-10(3)15-8-12-5-4-11(13)7-14-12/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine?
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine has a molecular weight of 272.19 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine is sourced from PubChem (CID 104809745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).