3-(1-methylimidazol-4-yl)pyridine

C9H9N3 — CID 11344157

IUPAC3-(1-methylimidazol-4-yl)pyridine
SMILESCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3
InChIKeyIMFKJIBLFGZFSW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.48
Rot. Bonds1

About 3-(1-methylimidazol-4-yl)pyridine

3-(1-methylimidazol-4-yl)pyridine (PubChem CID 11344157) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)pyridine
PubChem CID11344157
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-(1-methylimidazol-4-yl)pyridine
SMILESCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3
InChIKeyIMFKJIBLFGZFSW-UHFFFAOYSA-N
XLogP1.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)pyridine?
The IUPAC name of 3-(1-methylimidazol-4-yl)pyridine (CID 11344157) is 3-(1-methylimidazol-4-yl)pyridine.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)pyridine?
The canonical SMILES for 3-(1-methylimidazol-4-yl)pyridine is Cn1cnc(-c2cccnc2)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)pyridine?
The InChIKey is IMFKJIBLFGZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3.
What are the key properties of 3-(1-methylimidazol-4-yl)pyridine?
3-(1-methylimidazol-4-yl)pyridine has a molecular weight of 159.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)pyridine is sourced from PubChem (CID 11344157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).