5-imidazol-1-yl-2-methylpyridine

C9H9N3 — CID 71755404

IUPAC5-imidazol-1-yl-2-methylpyridine
SMILESCc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N3/c1-8-2-3-9(6-11-8)12-5-4-10-7-12/h2-7H,1H3
InChIKeyWVRGRAUQQFMCMY-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.58
Rot. Bonds1

About 5-imidazol-1-yl-2-methylpyridine

5-imidazol-1-yl-2-methylpyridine (PubChem CID 71755404) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-methylpyridine.

Molecular Properties

Compound Name5-imidazol-1-yl-2-methylpyridine
PubChem CID71755404
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name5-imidazol-1-yl-2-methylpyridine
SMILESCc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H9N3/c1-8-2-3-9(6-11-8)12-5-4-10-7-12/h2-7H,1H3
InChIKeyWVRGRAUQQFMCMY-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-methylpyridine?
The IUPAC name of 5-imidazol-1-yl-2-methylpyridine (CID 71755404) is 5-imidazol-1-yl-2-methylpyridine.
What is the SMILES notation for 5-imidazol-1-yl-2-methylpyridine?
The canonical SMILES for 5-imidazol-1-yl-2-methylpyridine is Cc1ccc(-n2ccnc2)cn1.
What is the InChIKey of 5-imidazol-1-yl-2-methylpyridine?
The InChIKey is WVRGRAUQQFMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-8-2-3-9(6-11-8)12-5-4-10-7-12/h2-7H,1H3.
What are the key properties of 5-imidazol-1-yl-2-methylpyridine?
5-imidazol-1-yl-2-methylpyridine has a molecular weight of 159.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-methylpyridine is sourced from PubChem (CID 71755404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).