2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine

C14H20BrNO — CID 102642172

IUPAC2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
SMILESC=CC(C)(CBr)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H20BrNO/c1-6-14(4,9-15)7-12-11(3)13(17-5)10(2)8-16-12/h6,8H,1,7,9H2,2-5H3
InChIKeyHFYRFKPLAJAKPI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.84
Rot. Bonds5

About 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine

2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 102642172) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID102642172
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
SMILESC=CC(C)(CBr)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H20BrNO/c1-6-14(4,9-15)7-12-11(3)13(17-5)10(2)8-16-12/h6,8H,1,7,9H2,2-5H3
InChIKeyHFYRFKPLAJAKPI-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
CID 102641299
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641130
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640807
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
CID 115927255
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926
2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxy-3,5-dimethylpyridine
CID 66050676
2-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83147876
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 62725096
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine (CID 102642172) is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine is C=CC(C)(CBr)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is HFYRFKPLAJAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-6-14(4,9-15)7-12-11(3)13(17-5)10(2)8-16-12/h6,8H,1,7,9H2,2-5H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine?
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 298.22 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 102642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).