3-(1H-imidazol-5-yl)pyridine

C8H7N3 — CID 3040177

IUPAC3-(1H-imidazol-5-yl)pyridine
SMILESc1cncc(-c2cnc[nH]2)c1
InChIInChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChIKeyYFOKBFRTGLSZLU-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.47
Rot. Bonds1

About 3-(1H-imidazol-5-yl)pyridine

3-(1H-imidazol-5-yl)pyridine (PubChem CID 3040177) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)pyridine.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)pyridine
PubChem CID3040177
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name3-(1H-imidazol-5-yl)pyridine
SMILESc1cncc(-c2cnc[nH]2)c1
InChIInChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)
InChIKeyYFOKBFRTGLSZLU-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)pyridine?
The IUPAC name of 3-(1H-imidazol-5-yl)pyridine (CID 3040177) is 3-(1H-imidazol-5-yl)pyridine.
What is the SMILES notation for 3-(1H-imidazol-5-yl)pyridine?
The canonical SMILES for 3-(1H-imidazol-5-yl)pyridine is c1cncc(-c2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)pyridine?
The InChIKey is YFOKBFRTGLSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11).
What are the key properties of 3-(1H-imidazol-5-yl)pyridine?
3-(1H-imidazol-5-yl)pyridine has a molecular weight of 145.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)pyridine is sourced from PubChem (CID 3040177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).