6-amino-2,3-dihydroxybenzaldehyde

C7H7NO3 — CID 54525793

IUPAC6-amino-2,3-dihydroxybenzaldehyde
SMILESNc1ccc(O)c(O)c1C=O
InChIInChI=1S/C7H7NO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H,8H2
InChIKeyYTACBFHQGJXEJD-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.49
Rot. Bonds1

About 6-amino-2,3-dihydroxybenzaldehyde

6-amino-2,3-dihydroxybenzaldehyde (PubChem CID 54525793) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-amino-2,3-dihydroxybenzaldehyde.

Molecular Properties

Compound Name6-amino-2,3-dihydroxybenzaldehyde
PubChem CID54525793
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-amino-2,3-dihydroxybenzaldehyde
SMILESNc1ccc(O)c(O)c1C=O
InChIInChI=1S/C7H7NO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H,8H2
InChIKeyYTACBFHQGJXEJD-UHFFFAOYSA-N
XLogP0.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dihydroxybenzaldehyde?
The IUPAC name of 6-amino-2,3-dihydroxybenzaldehyde (CID 54525793) is 6-amino-2,3-dihydroxybenzaldehyde.
What is the SMILES notation for 6-amino-2,3-dihydroxybenzaldehyde?
The canonical SMILES for 6-amino-2,3-dihydroxybenzaldehyde is Nc1ccc(O)c(O)c1C=O.
What is the InChIKey of 6-amino-2,3-dihydroxybenzaldehyde?
The InChIKey is YTACBFHQGJXEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H,8H2.
What are the key properties of 6-amino-2,3-dihydroxybenzaldehyde?
6-amino-2,3-dihydroxybenzaldehyde has a molecular weight of 153.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dihydroxybenzaldehyde is sourced from PubChem (CID 54525793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).