4-[(2-amino-4-pyridinyl)amino]phenol

C11H11N3O — CID 139641692

IUPAC4-[(2-amino-4-pyridinyl)amino]phenol
SMILESNc1cc(Nc2ccc(O)cc2)ccn1
InChIInChI=1S/C11H11N3O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h1-7,15H,(H3,12,13,14)
InChIKeyBSGMLIDFLLHAGK-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.11
Rot. Bonds2

About 4-[(2-amino-4-pyridinyl)amino]phenol

4-[(2-amino-4-pyridinyl)amino]phenol (PubChem CID 139641692) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)amino]phenol.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)amino]phenol
PubChem CID139641692
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-[(2-amino-4-pyridinyl)amino]phenol
SMILESNc1cc(Nc2ccc(O)cc2)ccn1
InChIInChI=1S/C11H11N3O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h1-7,15H,(H3,12,13,14)
InChIKeyBSGMLIDFLLHAGK-UHFFFAOYSA-N
XLogP2.11
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-4-pyridinyl)amino]phenol 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 4-[(2-amino-4-pyridinyl)amino]phenol?
The IUPAC name of 4-[(2-amino-4-pyridinyl)amino]phenol (CID 139641692) is 4-[(2-amino-4-pyridinyl)amino]phenol.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)amino]phenol?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)amino]phenol is Nc1cc(Nc2ccc(O)cc2)ccn1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)amino]phenol?
The InChIKey is BSGMLIDFLLHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11-7-9(5-6-13-11)14-8-1-3-10(15)4-2-8/h1-7,15H,(H3,12,13,14).
What are the key properties of 4-[(2-amino-4-pyridinyl)amino]phenol?
4-[(2-amino-4-pyridinyl)amino]phenol has a molecular weight of 201.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)amino]phenol is sourced from PubChem (CID 139641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).