5-amino-4-hydroxybenzene-1,3-dicarbaldehyde

C8H7NO3 — CID 89278694

IUPAC5-amino-4-hydroxybenzene-1,3-dicarbaldehyde
SMILESNc1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C8H7NO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-4,12H,9H2
InChIKeyKRUBARHAISDGCY-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.60
Rot. Bonds2

About 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde

5-amino-4-hydroxybenzene-1,3-dicarbaldehyde (PubChem CID 89278694) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-amino-4-hydroxybenzene-1,3-dicarbaldehyde
PubChem CID89278694
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name5-amino-4-hydroxybenzene-1,3-dicarbaldehyde
SMILESNc1cc(C=O)cc(C=O)c1O
InChIInChI=1S/C8H7NO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-4,12H,9H2
InChIKeyKRUBARHAISDGCY-UHFFFAOYSA-N
XLogP0.60
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde 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 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde (CID 89278694) is 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde is Nc1cc(C=O)cc(C=O)c1O.
What is the InChIKey of 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde?
The InChIKey is KRUBARHAISDGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-4,12H,9H2.
What are the key properties of 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde?
5-amino-4-hydroxybenzene-1,3-dicarbaldehyde has a molecular weight of 165.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 89278694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).