3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine

C12H13N3 — CID 166906317

IUPAC3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine
SMILESC=Cc1ccc(-n2cnc(C)c2)nc1C
InChIInChI=1S/C12H13N3/c1-4-11-5-6-12(14-10(11)3)15-7-9(2)13-8-15/h4-8H,1H2,2-3H3
InChIKeyVJWBTOFEXIBDRC-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.53
Rot. Bonds2

About 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine

3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine (PubChem CID 166906317) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine
PubChem CID166906317
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine
SMILESC=Cc1ccc(-n2cnc(C)c2)nc1C
InChIInChI=1S/C12H13N3/c1-4-11-5-6-12(14-10(11)3)15-7-9(2)13-8-15/h4-8H,1H2,2-3H3
InChIKeyVJWBTOFEXIBDRC-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine?
The IUPAC name of 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine (CID 166906317) is 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine?
The canonical SMILES for 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine is C=Cc1ccc(-n2cnc(C)c2)nc1C.
What is the InChIKey of 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine?
The InChIKey is VJWBTOFEXIBDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-4-11-5-6-12(14-10(11)3)15-7-9(2)13-8-15/h4-8H,1H2,2-3H3.
What are the key properties of 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine?
3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine has a molecular weight of 199.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-6-(4-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 166906317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).