2-amino-3-pyridin-4-ylphenol

C11H10N2O — CID 20564334

IUPAC2-amino-3-pyridin-4-ylphenol
SMILESNc1c(O)cccc1-c1ccncc1
InChIInChI=1S/C11H10N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-7,14H,12H2
InChIKeySPSLZQIUSAWHDY-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-3-pyridin-4-ylphenol

2-amino-3-pyridin-4-ylphenol (PubChem CID 20564334) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-amino-3-pyridin-4-ylphenol.

Molecular Properties

Compound Name2-amino-3-pyridin-4-ylphenol
PubChem CID20564334
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-amino-3-pyridin-4-ylphenol
SMILESNc1c(O)cccc1-c1ccncc1
InChIInChI=1S/C11H10N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-7,14H,12H2
InChIKeySPSLZQIUSAWHDY-UHFFFAOYSA-N
XLogP2.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-4-ylphenol?
The IUPAC name of 2-amino-3-pyridin-4-ylphenol (CID 20564334) is 2-amino-3-pyridin-4-ylphenol.
What is the SMILES notation for 2-amino-3-pyridin-4-ylphenol?
The canonical SMILES for 2-amino-3-pyridin-4-ylphenol is Nc1c(O)cccc1-c1ccncc1.
What is the InChIKey of 2-amino-3-pyridin-4-ylphenol?
The InChIKey is SPSLZQIUSAWHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-7,14H,12H2.
What are the key properties of 2-amino-3-pyridin-4-ylphenol?
2-amino-3-pyridin-4-ylphenol has a molecular weight of 186.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-4-ylphenol is sourced from PubChem (CID 20564334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).