4-amino-2-hydroxybenzaldehyde

C7H7NO2 — CID 22256149

IUPAC4-amino-2-hydroxybenzaldehyde
SMILESNc1ccc(C=O)c(O)c1
InChIInChI=1S/C7H7NO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H,8H2
InChIKeyPHQPPUMEXCUXDN-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.79
Rot. Bonds1

About 4-amino-2-hydroxybenzaldehyde

4-amino-2-hydroxybenzaldehyde (PubChem CID 22256149) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-amino-2-hydroxybenzaldehyde
PubChem CID22256149
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4-amino-2-hydroxybenzaldehyde
SMILESNc1ccc(C=O)c(O)c1
InChIInChI=1S/C7H7NO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H,8H2
InChIKeyPHQPPUMEXCUXDN-UHFFFAOYSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzaldehyde?
The IUPAC name of 4-amino-2-hydroxybenzaldehyde (CID 22256149) is 4-amino-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-amino-2-hydroxybenzaldehyde?
The canonical SMILES for 4-amino-2-hydroxybenzaldehyde is Nc1ccc(C=O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzaldehyde?
The InChIKey is PHQPPUMEXCUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H,8H2.
What are the key properties of 4-amino-2-hydroxybenzaldehyde?
4-amino-2-hydroxybenzaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzaldehyde is sourced from PubChem (CID 22256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).