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

C12H12N2O — CID 54024998

IUPAC2-[(4-amino-2-pyridinyl)methyl]phenol
SMILESNc1ccnc(Cc2ccccc2O)c1
InChIInChI=1S/C12H12N2O/c13-10-5-6-14-11(8-10)7-9-3-1-2-4-12(9)15/h1-6,8,15H,7H2,(H2,13,14)
InChIKeyLBOLVVUPOICBRF-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.96
Rot. Bonds2

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

2-[(4-amino-2-pyridinyl)methyl]phenol (PubChem CID 54024998) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(4-amino-2-pyridinyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-amino-2-pyridinyl)methyl]phenol
PubChem CID54024998
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-[(4-amino-2-pyridinyl)methyl]phenol
SMILESNc1ccnc(Cc2ccccc2O)c1
InChIInChI=1S/C12H12N2O/c13-10-5-6-14-11(8-10)7-9-3-1-2-4-12(9)15/h1-6,8,15H,7H2,(H2,13,14)
InChIKeyLBOLVVUPOICBRF-UHFFFAOYSA-N
XLogP1.96
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-amino-2-pyridinyl)methyl]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 2-[(4-amino-2-pyridinyl)methyl]phenol?
The IUPAC name of 2-[(4-amino-2-pyridinyl)methyl]phenol (CID 54024998) is 2-[(4-amino-2-pyridinyl)methyl]phenol.
What is the SMILES notation for 2-[(4-amino-2-pyridinyl)methyl]phenol?
The canonical SMILES for 2-[(4-amino-2-pyridinyl)methyl]phenol is Nc1ccnc(Cc2ccccc2O)c1.
What is the InChIKey of 2-[(4-amino-2-pyridinyl)methyl]phenol?
The InChIKey is LBOLVVUPOICBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-10-5-6-14-11(8-10)7-9-3-1-2-4-12(9)15/h1-6,8,15H,7H2,(H2,13,14).
What are the key properties of 2-[(4-amino-2-pyridinyl)methyl]phenol?
2-[(4-amino-2-pyridinyl)methyl]phenol has a molecular weight of 200.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-pyridinyl)methyl]phenol is sourced from PubChem (CID 54024998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).