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

C12H13N3O — CID 105468629

IUPAC2-[(2-amino-4-pyridinyl)methylamino]phenol
SMILESNc1cc(CNc2ccccc2O)ccn1
InChIInChI=1S/C12H13N3O/c13-12-7-9(5-6-14-12)8-15-10-3-1-2-4-11(10)16/h1-7,15-16H,8H2,(H2,13,14)
InChIKeyQVKGQQIMHDOBAO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds3

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

2-[(2-amino-4-pyridinyl)methylamino]phenol (PubChem CID 105468629) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylamino]phenol.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylamino]phenol
PubChem CID105468629
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[(2-amino-4-pyridinyl)methylamino]phenol
SMILESNc1cc(CNc2ccccc2O)ccn1
InChIInChI=1S/C12H13N3O/c13-12-7-9(5-6-14-12)8-15-10-3-1-2-4-11(10)16/h1-7,15-16H,8H2,(H2,13,14)
InChIKeyQVKGQQIMHDOBAO-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]phenol?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]phenol (CID 105468629) is 2-[(2-amino-4-pyridinyl)methylamino]phenol.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylamino]phenol?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylamino]phenol is Nc1cc(CNc2ccccc2O)ccn1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylamino]phenol?
The InChIKey is QVKGQQIMHDOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-7-9(5-6-14-12)8-15-10-3-1-2-4-11(10)16/h1-7,15-16H,8H2,(H2,13,14).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylamino]phenol?
2-[(2-amino-4-pyridinyl)methylamino]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylamino]phenol is sourced from PubChem (CID 105468629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).