3-amino-2-(5-methyl-2-pyridinyl)phenol

C₁₂H₁₂N₂O — CID 135788298

About 3-amino-2-(5-methyl-2-pyridinyl)phenol

3-amino-2-(5-methyl-2-pyridinyl)phenol (PubChem CID 135788298) has the molecular formula C₁₂H₁₂N₂O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-2-(5-methyl-2-pyridinyl)phenol.

Molecular Properties

• Compound Name: 3-amino-2-(5-methyl-2-pyridinyl)phenol
• PubChem CID: 135788298
• Molecular Formula: C₁₂H₁₂N₂O
• Molecular Weight: 200.24 g/mol
• Exact Mass: 200.09
• IUPAC Name: 3-amino-2-(5-methyl-2-pyridinyl)phenol
• SMILES: Cc1ccc(-c2c(N)cccc2O)nc1
• InChI: InChI=1S/C12H12N2O/c1-8-5-6-10(14-7-8)12-9(13)3-2-4-11(12)15/h2-7,15H,13H2,1H3
• InChIKey: PVIHWXHEYCCSKP-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 59.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.24
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methyl-2-pyridinyl)phenol?

The IUPAC name of 3-amino-2-(5-methyl-2-pyridinyl)phenol (CID 135788298) is 3-amino-2-(5-methyl-2-pyridinyl)phenol.

What is the SMILES notation for 3-amino-2-(5-methyl-2-pyridinyl)phenol?

The canonical SMILES for 3-amino-2-(5-methyl-2-pyridinyl)phenol is Cc1ccc(-c2c(N)cccc2O)nc1.

What is the InChIKey of 3-amino-2-(5-methyl-2-pyridinyl)phenol?

The InChIKey is PVIHWXHEYCCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-5-6-10(14-7-8)12-9(13)3-2-4-11(12)15/h2-7,15H,13H2,1H3.

What are the key properties of 3-amino-2-(5-methyl-2-pyridinyl)phenol?

3-amino-2-(5-methyl-2-pyridinyl)phenol has a molecular weight of 200.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(5-methyl-2-pyridinyl)phenol is sourced from PubChem (CID 135788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135788298 — identifiers, structure, computed properties (public domain)

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