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

C12H12N2O — CID 135788298

IUPAC3-amino-2-(5-methyl-2-pyridinyl)phenol
SMILESCc1ccc(-c2c(N)cccc2O)nc1
InChIInChI=1S/C12H12N2O/c1-8-5-6-10(14-7-8)12-9(13)3-2-4-11(12)15/h2-7,15H,13H2,1H3
InChIKeyPVIHWXHEYCCSKP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.34
Rot. Bonds1

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 Name3-amino-2-(5-methyl-2-pyridinyl)phenol
PubChem CID135788298
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-amino-2-(5-methyl-2-pyridinyl)phenol
SMILESCc1ccc(-c2c(N)cccc2O)nc1
InChIInChI=1S/C12H12N2O/c1-8-5-6-10(14-7-8)12-9(13)3-2-4-11(12)15/h2-7,15H,13H2,1H3
InChIKeyPVIHWXHEYCCSKP-UHFFFAOYSA-N
XLogP2.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).