2,3,4,5-tetraamino-6-hydroxybenzoic acid

C7H10N4O3 — CID 171781935

IUPAC2,3,4,5-tetraamino-6-hydroxybenzoic acid
SMILESNc1c(N)c(N)c(C(=O)O)c(O)c1N
InChIInChI=1S/C7H10N4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,8-11H2,(H,13,14)
InChIKeyLQWRVGDFTBCTSB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.58
Rot. Bonds1

About 2,3,4,5-tetraamino-6-hydroxybenzoic acid

2,3,4,5-tetraamino-6-hydroxybenzoic acid (PubChem CID 171781935) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,3,4,5-tetraamino-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3,4,5-tetraamino-6-hydroxybenzoic acid
PubChem CID171781935
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2,3,4,5-tetraamino-6-hydroxybenzoic acid
SMILESNc1c(N)c(N)c(C(=O)O)c(O)c1N
InChIInChI=1S/C7H10N4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,8-11H2,(H,13,14)
InChIKeyLQWRVGDFTBCTSB-UHFFFAOYSA-N
XLogP-0.58
TPSA161.61 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2,3,4,5-tetraamino-6-hydroxybenzoic acid?
The IUPAC name of 2,3,4,5-tetraamino-6-hydroxybenzoic acid (CID 171781935) is 2,3,4,5-tetraamino-6-hydroxybenzoic acid.
What is the SMILES notation for 2,3,4,5-tetraamino-6-hydroxybenzoic acid?
The canonical SMILES for 2,3,4,5-tetraamino-6-hydroxybenzoic acid is Nc1c(N)c(N)c(C(=O)O)c(O)c1N.
What is the InChIKey of 2,3,4,5-tetraamino-6-hydroxybenzoic acid?
The InChIKey is LQWRVGDFTBCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,8-11H2,(H,13,14).
What are the key properties of 2,3,4,5-tetraamino-6-hydroxybenzoic acid?
2,3,4,5-tetraamino-6-hydroxybenzoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraamino-6-hydroxybenzoic acid is sourced from PubChem (CID 171781935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).