5-(1H-imidazol-5-yl)-2-methylpyridine

C9H9N3 — CID 11586339

IUPAC5-(1H-imidazol-5-yl)-2-methylpyridine
SMILESCc1ccc(-c2cnc[nH]2)cn1
InChIInChI=1S/C9H9N3/c1-7-2-3-8(4-11-7)9-5-10-6-12-9/h2-6H,1H3,(H,10,12)
InChIKeyPJSQQGOZFFLVTA-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.78
Rot. Bonds1

About 5-(1H-imidazol-5-yl)-2-methylpyridine

5-(1H-imidazol-5-yl)-2-methylpyridine (PubChem CID 11586339) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-2-methylpyridine
PubChem CID11586339
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name5-(1H-imidazol-5-yl)-2-methylpyridine
SMILESCc1ccc(-c2cnc[nH]2)cn1
InChIInChI=1S/C9H9N3/c1-7-2-3-8(4-11-7)9-5-10-6-12-9/h2-6H,1H3,(H,10,12)
InChIKeyPJSQQGOZFFLVTA-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyridine?
The IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyridine (CID 11586339) is 5-(1H-imidazol-5-yl)-2-methylpyridine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-2-methylpyridine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-2-methylpyridine is Cc1ccc(-c2cnc[nH]2)cn1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-2-methylpyridine?
The InChIKey is PJSQQGOZFFLVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-2-3-8(4-11-7)9-5-10-6-12-9/h2-6H,1H3,(H,10,12).
What are the key properties of 5-(1H-imidazol-5-yl)-2-methylpyridine?
5-(1H-imidazol-5-yl)-2-methylpyridine has a molecular weight of 159.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-2-methylpyridine is sourced from PubChem (CID 11586339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).