2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol

C15H12ClN3O2 — CID 156844604

IUPAC2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
SMILESOCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C15H12ClN3O2/c16-15-5-4-11(13(9-20)18-15)12-3-2-10(8-14(12)21)19-7-1-6-17-19/h1-8,20-21H,9H2
InChIKeyUAICIJKIEPXJNA-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.79
Rot. Bonds3

About 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol

2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol (PubChem CID 156844604) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
PubChem CID156844604
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
SMILESOCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C15H12ClN3O2/c16-15-5-4-11(13(9-20)18-15)12-3-2-10(8-14(12)21)19-7-1-6-17-19/h1-8,20-21H,9H2
InChIKeyUAICIJKIEPXJNA-UHFFFAOYSA-N
XLogP2.79
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol (CID 156844604) is 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol is OCc1nc(Cl)ccc1-c1ccc(-n2cccn2)cc1O.
What is the InChIKey of 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
The InChIKey is UAICIJKIEPXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-15-5-4-11(13(9-20)18-15)12-3-2-10(8-14(12)21)19-7-1-6-17-19/h1-8,20-21H,9H2.
What are the key properties of 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol?
2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol has a molecular weight of 301.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 156844604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).