2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde

C12H10N2O2 — CID 115028666

IUPAC2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2cccc(O)c2)cc1C=O
InChIInChI=1S/C12H10N2O2/c13-12-10(7-15)4-9(6-14-12)8-2-1-3-11(16)5-8/h1-7,16H,(H2,13,14)
InChIKeyXPISFEPTDYKNMK-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde

2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde (PubChem CID 115028666) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
PubChem CID115028666
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2cccc(O)c2)cc1C=O
InChIInChI=1S/C12H10N2O2/c13-12-10(7-15)4-9(6-14-12)8-2-1-3-11(16)5-8/h1-7,16H,(H2,13,14)
InChIKeyXPISFEPTDYKNMK-UHFFFAOYSA-N
XLogP1.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde 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-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde (CID 115028666) is 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde is Nc1ncc(-c2cccc(O)c2)cc1C=O.
What is the InChIKey of 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is XPISFEPTDYKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-12-10(7-15)4-9(6-14-12)8-2-1-3-11(16)5-8/h1-7,16H,(H2,13,14).
What are the key properties of 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde?
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 115028666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).