3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine

C11H14BrNO — CID 105368392

IUPAC3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine
SMILESC=C(C)CCOc1ncc(C)cc1Br
InChIInChI=1S/C11H14BrNO/c1-8(2)4-5-14-11-10(12)6-9(3)7-13-11/h6-7H,1,4-5H2,2-3H3
InChIKeyOWLCMYFXDINKTE-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.50
Rot. Bonds4

About 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine

3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine (PubChem CID 105368392) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine
PubChem CID105368392
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine
SMILESC=C(C)CCOc1ncc(C)cc1Br
InChIInChI=1S/C11H14BrNO/c1-8(2)4-5-14-11-10(12)6-9(3)7-13-11/h6-7H,1,4-5H2,2-3H3
InChIKeyOWLCMYFXDINKTE-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
1,3-dimethyl-5-(3-methylbut-3-enoxy)benzene
CID 114477410
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
2,5-dichloro-4-(3-methylbut-3-enoxy)pyrimidine
CID 114470103
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
5-bromo-3-methyl-2-(3-methylbut-3-enoxy)benzaldehyde
CID 114472688
3-bromo-5-methyl-2-(thiophen-2-ylmethoxy)pyridine
CID 105368297
(3-bromo-5-methyl-2-pyridinyl) trifluoromethanesulfonate
CID 86184197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine (CID 105368392) is 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine is C=C(C)CCOc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine?
The InChIKey is OWLCMYFXDINKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(2)4-5-14-11-10(12)6-9(3)7-13-11/h6-7H,1,4-5H2,2-3H3.
What are the key properties of 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine?
3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine has a molecular weight of 256.14 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine is sourced from PubChem (CID 105368392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).