8-aminonaphthalene-1,2,3,6-tetrol

C10H9NO4 — CID 123540994

IUPAC8-aminonaphthalene-1,2,3,6-tetrol
SMILESNc1cc(O)cc2cc(O)c(O)c(O)c12
InChIInChI=1S/C10H9NO4/c11-6-3-5(12)1-4-2-7(13)9(14)10(15)8(4)6/h1-3,12-15H,11H2
InChIKeyUYZHPQLEBZHPSP-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.24
Rot. Bonds

About 8-aminonaphthalene-1,2,3,6-tetrol

8-aminonaphthalene-1,2,3,6-tetrol (PubChem CID 123540994) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 8-aminonaphthalene-1,2,3,6-tetrol.

Molecular Properties

Compound Name8-aminonaphthalene-1,2,3,6-tetrol
PubChem CID123540994
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name8-aminonaphthalene-1,2,3,6-tetrol
SMILESNc1cc(O)cc2cc(O)c(O)c(O)c12
InChIInChI=1S/C10H9NO4/c11-6-3-5(12)1-4-2-7(13)9(14)10(15)8(4)6/h1-3,12-15H,11H2
InChIKeyUYZHPQLEBZHPSP-UHFFFAOYSA-N
XLogP1.24
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Aminonaphthalene-1,2-diol
CID 437034
6-Amino-1,2-dihydroxynaphthalene
CID 30682
4-Aminonaphthalen-2-OL
CID 14440266
2-Hydroxy-1,4-naphthoquinone 1-(thiosemicarbazone)
CID 3036674
1,2-Naphthalenediol, 6-amino-, hydrochloride
CID 30681
Acetic acid, aminooxo-, 2-(3,4-dihydro-3,4-dioxo-1-naphthalenyl)hydrazide
CID 3059720
3,4-Dihydroxy-1-naphthylamine
CID 20208206
6-Aminonaphthalene-1,2-diol hydrobromide
CID 155821186
5-Amino-2,3-naphthalenediol
CID 20208208
(4-Amino-5,7-disulfooxynaphthalen-2-yl) hydrogen sulfate
CID 54125276
1,2-Dihydroxy-4-nitronaphthalene
CID 54339442
2,3-Dihydroxy-1-naphthylamine
CID 67162016

Frequently Asked Questions

What is the IUPAC name of 8-aminonaphthalene-1,2,3,6-tetrol?
The IUPAC name of 8-aminonaphthalene-1,2,3,6-tetrol (CID 123540994) is 8-aminonaphthalene-1,2,3,6-tetrol.
What is the SMILES notation for 8-aminonaphthalene-1,2,3,6-tetrol?
The canonical SMILES for 8-aminonaphthalene-1,2,3,6-tetrol is Nc1cc(O)cc2cc(O)c(O)c(O)c12.
What is the InChIKey of 8-aminonaphthalene-1,2,3,6-tetrol?
The InChIKey is UYZHPQLEBZHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c11-6-3-5(12)1-4-2-7(13)9(14)10(15)8(4)6/h1-3,12-15H,11H2.
What are the key properties of 8-aminonaphthalene-1,2,3,6-tetrol?
8-aminonaphthalene-1,2,3,6-tetrol has a molecular weight of 207.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminonaphthalene-1,2,3,6-tetrol is sourced from PubChem (CID 123540994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).