2,3-diamino-4-hydroxybenzamide

C7H9N3O2 — CID 70024037

IUPAC2,3-diamino-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N)c1N
InChIInChI=1S/C7H9N3O2/c8-5-3(7(10)12)1-2-4(11)6(5)9/h1-2,11H,8-9H2,(H2,10,12)
InChIKeyFIVCPCQGEALBNC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.34
Rot. Bonds1

About 2,3-diamino-4-hydroxybenzamide

2,3-diamino-4-hydroxybenzamide (PubChem CID 70024037) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,3-diamino-4-hydroxybenzamide.

Molecular Properties

Compound Name2,3-diamino-4-hydroxybenzamide
PubChem CID70024037
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2,3-diamino-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N)c1N
InChIInChI=1S/C7H9N3O2/c8-5-3(7(10)12)1-2-4(11)6(5)9/h1-2,11H,8-9H2,(H2,10,12)
InChIKeyFIVCPCQGEALBNC-UHFFFAOYSA-N
XLogP-0.34
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.34
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

2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
1-(2,3-diamino-4-hydroxyphenyl)-2,3-dihydroxypropan-1-one
CID 141050077
1-(2,3-diamino-4-hydroxyphenyl)-2,3-dihydroxypropan-1-one;hydrate
CID 141050076
2-amino-3-iodobenzamide
CID 67497450
3-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653967
2,3-diacetyl-4-hydroxybenzamide
CID 174459888
3-amino-2-bromo-4-hydroxybenzoic acid
CID 84695246
benzene-1,2,3,4-tetracarboxamide
CID 54274025
1-(3-amino-2-bromo-4-hydroxyphenyl)ethanone
CID 171016977
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
1-(3-amino-2-chloro-4-hydroxyphenyl)ethanone
CID 154212695

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4-hydroxybenzamide?
The IUPAC name of 2,3-diamino-4-hydroxybenzamide (CID 70024037) is 2,3-diamino-4-hydroxybenzamide.
What is the SMILES notation for 2,3-diamino-4-hydroxybenzamide?
The canonical SMILES for 2,3-diamino-4-hydroxybenzamide is NC(=O)c1ccc(O)c(N)c1N.
What is the InChIKey of 2,3-diamino-4-hydroxybenzamide?
The InChIKey is FIVCPCQGEALBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-5-3(7(10)12)1-2-4(11)6(5)9/h1-2,11H,8-9H2,(H2,10,12).
What are the key properties of 2,3-diamino-4-hydroxybenzamide?
2,3-diamino-4-hydroxybenzamide has a molecular weight of 167.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4-hydroxybenzamide is sourced from PubChem (CID 70024037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).