(2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol

C₁₃H₁₁N₃O — CID 50961614

About (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol

(2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol (PubChem CID 50961614) has the molecular formula C₁₃H₁₁N₃O and a molecular weight of 225.25 g/mol. Its IUPAC name is (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol.

Molecular Properties

• Compound Name: (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol
• PubChem CID: 50961614
• Molecular Formula: C₁₃H₁₁N₃O
• Molecular Weight: 225.25 g/mol
• Exact Mass: 225.09
• IUPAC Name: (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol
• SMILES: OCc1ccccc1-n1ncc2cccnc21
• InChI: InChI=1S/C13H11N3O/c17-9-11-4-1-2-6-12(11)16-13-10(8-15-16)5-3-7-14-13/h1-8,17H,9H2
• InChIKey: JXVLCTBGMXLIIZ-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.25
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol?

The IUPAC name of (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol (CID 50961614) is (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol.

What is the SMILES notation for (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol?

The canonical SMILES for (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol is OCc1ccccc1-n1ncc2cccnc21.

What is the InChIKey of (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol?

The InChIKey is JXVLCTBGMXLIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-9-11-4-1-2-6-12(11)16-13-10(8-15-16)5-3-7-14-13/h1-8,17H,9H2.

What are the key properties of (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol?

(2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol has a molecular weight of 225.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-pyrazolo[5,4-b]pyridin-1-ylphenyl)methanol is sourced from PubChem (CID 50961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50961614 — identifiers, structure, computed properties (public domain)

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