2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine

C13H17N3O — CID 148813178

IUPAC2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine
SMILESC=CC1C=CC(n2cnc(C)c2)=C(OC)N1C
InChIInChI=1S/C13H17N3O/c1-5-11-6-7-12(13(17-4)15(11)3)16-8-10(2)14-9-16/h5-9,11H,1H2,2-4H3
InChIKeyOQIASQAUIUFGES-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds3

About 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine

2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine (PubChem CID 148813178) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine.

Molecular Properties

Compound Name2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine
PubChem CID148813178
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine
SMILESC=CC1C=CC(n2cnc(C)c2)=C(OC)N1C
InChIInChI=1S/C13H17N3O/c1-5-11-6-7-12(13(17-4)15(11)3)16-8-10(2)14-9-16/h5-9,11H,1H2,2-4H3
InChIKeyOQIASQAUIUFGES-UHFFFAOYSA-N
XLogP2.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1,2-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyridine
CID 143987462
O-[5-methoxy-6-methyl-4-(4-methylimidazol-1-yl)cyclohexa-2,4-dien-1-yl]hydroxylamine
CID 91474179
1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
CID 163419103
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
3-methoxy-2-(4-methylimidazol-1-yl)pyridine
CID 141128975
3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine
CID 166906317
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine
CID 89069885
(7S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2H-pyridin-1-yl]ethenyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 87175314
4-methyl-2-(4-methylimidazol-1-yl)pyrimidine
CID 21025903
[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium
CID 143812515
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine?
The IUPAC name of 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine (CID 148813178) is 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine.
What is the SMILES notation for 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine?
The canonical SMILES for 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine is C=CC1C=CC(n2cnc(C)c2)=C(OC)N1C.
What is the InChIKey of 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine?
The InChIKey is OQIASQAUIUFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-11-6-7-12(13(17-4)15(11)3)16-8-10(2)14-9-16/h5-9,11H,1H2,2-4H3.
What are the key properties of 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine?
2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methoxy-1-methyl-5-(4-methylimidazol-1-yl)-2H-pyridine is sourced from PubChem (CID 148813178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).