2-(1H-imidazol-2-yl)pyridine

C64H56N24 — CID 139207346

IUPAC2-(1H-imidazol-2-yl)pyridine
SMILESc1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/8C8H7N3/c8*1-2-4-9-7(3-1)8-10-5-6-11-8/h8*1-6H,(H,10,11)
InChIKeyVSPWVIRGINZFAV-UHFFFAOYSA-N
MW1161.32 g/mol
LogP11.77
Rot. Bonds8

About 2-(1H-imidazol-2-yl)pyridine

2-(1H-imidazol-2-yl)pyridine (PubChem CID 139207346) has the molecular formula C64H56N24 and a molecular weight of 1161.32 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)pyridine
PubChem CID139207346
Molecular FormulaC64H56N24
Molecular Weight1161.32 g/mol
Exact Mass1160.51
IUPAC Name2-(1H-imidazol-2-yl)pyridine
SMILESc1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/8C8H7N3/c8*1-2-4-9-7(3-1)8-10-5-6-11-8/h8*1-6H,(H,10,11)
InChIKeyVSPWVIRGINZFAV-UHFFFAOYSA-N
XLogP11.77
TPSA332.56 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001161.32
LogP ≤ 511.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-(1H-imidazol-2-yl)pyridine (CID 139207346) is 2-(1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-(1H-imidazol-2-yl)pyridine is c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.c1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)pyridine?
The InChIKey is VSPWVIRGINZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H7N3/c8*1-2-4-9-7(3-1)8-10-5-6-11-8/h8*1-6H,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)pyridine?
2-(1H-imidazol-2-yl)pyridine has a molecular weight of 1161.32 g/mol, XLogP of 11.77, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 139207346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).