[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol

C9H9N3O — CID 104831040

IUPAC[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C9H9N3O/c13-6-7-1-2-10-8(5-7)9-11-3-4-12-9/h1-5,13H,6H2,(H,11,12)
InChIKeyRUZTXPXFDBFSRD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.96
Rot. Bonds2

About [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol

[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol (PubChem CID 104831040) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol
PubChem CID104831040
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C9H9N3O/c13-6-7-1-2-10-8(5-7)9-11-3-4-12-9/h1-5,13H,6H2,(H,11,12)
InChIKeyRUZTXPXFDBFSRD-UHFFFAOYSA-N
XLogP0.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol (CID 104831040) is [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol is OCc1ccnc(-c2ncc[nH]2)c1.
What is the InChIKey of [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol?
The InChIKey is RUZTXPXFDBFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-6-7-1-2-10-8(5-7)9-11-3-4-12-9/h1-5,13H,6H2,(H,11,12).
What are the key properties of [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol?
[2-(1H-imidazol-2-yl)-4-pyridinyl]methanol has a molecular weight of 175.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 104831040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).