4-amino-3,5-dihydroxybenzoic acid

C7H7NO4 — CID 51346171

IUPAC4-amino-3,5-dihydroxybenzoic acid
SMILESNc1c(O)cc(C(=O)O)cc1O
InChIInChI=1S/C7H7NO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,8H2,(H,11,12)
InChIKeyOZXVKLZAIACTOQ-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.38
Rot. Bonds1

About 4-amino-3,5-dihydroxybenzoic acid

4-amino-3,5-dihydroxybenzoic acid (PubChem CID 51346171) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-amino-3,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name4-amino-3,5-dihydroxybenzoic acid
PubChem CID51346171
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name4-amino-3,5-dihydroxybenzoic acid
SMILESNc1c(O)cc(C(=O)O)cc1O
InChIInChI=1S/C7H7NO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,8H2,(H,11,12)
InChIKeyOZXVKLZAIACTOQ-UHFFFAOYSA-N
XLogP0.38
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-amino-3,5-dihydroxyphenyl)methanone
CID 151612756
3,4,5-trihydroxybenzoic acid
CID 370
CID 173368262
CID 173368262
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
bismuthane;copper;3,4,5-trihydroxybenzoic acid
CID 175210163
strontium;hydride;3,4,5-trihydroxybenzoic acid
CID 173029021
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823
bismuth 4-carboxy-2,6-dihydroxyphenolate
CID 54698176
tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
CID 175913194
strontium;hydride;lanthanum;3,4,5-trihydroxybenzoic acid
CID 173027938

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dihydroxybenzoic acid?
The IUPAC name of 4-amino-3,5-dihydroxybenzoic acid (CID 51346171) is 4-amino-3,5-dihydroxybenzoic acid.
What is the SMILES notation for 4-amino-3,5-dihydroxybenzoic acid?
The canonical SMILES for 4-amino-3,5-dihydroxybenzoic acid is Nc1c(O)cc(C(=O)O)cc1O.
What is the InChIKey of 4-amino-3,5-dihydroxybenzoic acid?
The InChIKey is OZXVKLZAIACTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,8H2,(H,11,12).
What are the key properties of 4-amino-3,5-dihydroxybenzoic acid?
4-amino-3,5-dihydroxybenzoic acid has a molecular weight of 169.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dihydroxybenzoic acid is sourced from PubChem (CID 51346171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).