2-(pyridin-2-ylmethylamino)phenol

C12H12N2O — CID 14936865

IUPAC2-(pyridin-2-ylmethylamino)phenol
SMILESOc1ccccc1NCc1ccccn1
InChIInChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2
InChIKeyGXJRVWZNMZGWAQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.40
Rot. Bonds3

About 2-(pyridin-2-ylmethylamino)phenol

2-(pyridin-2-ylmethylamino)phenol (PubChem CID 14936865) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylamino)phenol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylamino)phenol
PubChem CID14936865
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(pyridin-2-ylmethylamino)phenol
SMILESOc1ccccc1NCc1ccccn1
InChIInChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2
InChIKeyGXJRVWZNMZGWAQ-UHFFFAOYSA-N
XLogP2.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(pyridin-2-ylmethylamino)phenol?
The IUPAC name of 2-(pyridin-2-ylmethylamino)phenol (CID 14936865) is 2-(pyridin-2-ylmethylamino)phenol.
What is the SMILES notation for 2-(pyridin-2-ylmethylamino)phenol?
The canonical SMILES for 2-(pyridin-2-ylmethylamino)phenol is Oc1ccccc1NCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethylamino)phenol?
The InChIKey is GXJRVWZNMZGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2.
What are the key properties of 2-(pyridin-2-ylmethylamino)phenol?
2-(pyridin-2-ylmethylamino)phenol has a molecular weight of 200.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylamino)phenol is sourced from PubChem (CID 14936865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).