2,3-diamino-6-hydroxybenzonitrile

C7H7N3O — CID 171010928

IUPAC2,3-diamino-6-hydroxybenzonitrile
SMILESN#Cc1c(O)ccc(N)c1N
InChIInChI=1S/C7H7N3O/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2,11H,9-10H2
InChIKeyADCWASKUFPWICP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.43
Rot. Bonds

About 2,3-diamino-6-hydroxybenzonitrile

2,3-diamino-6-hydroxybenzonitrile (PubChem CID 171010928) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,3-diamino-6-hydroxybenzonitrile.

Molecular Properties

Compound Name2,3-diamino-6-hydroxybenzonitrile
PubChem CID171010928
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2,3-diamino-6-hydroxybenzonitrile
SMILESN#Cc1c(O)ccc(N)c1N
InChIInChI=1S/C7H7N3O/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2,11H,9-10H2
InChIKeyADCWASKUFPWICP-UHFFFAOYSA-N
XLogP0.43
TPSA96.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-diamino-6-phenylbenzonitrile
CID 59218657
3,6-dihydroxy-2-methylbenzonitrile
CID 130033586
3-amino-2-hydroxy-6-methylbenzonitrile
CID 21184585
3,6-dihydroxybenzene-1,2-dicarbonitrile;3,6-dimethylbenzene-1,2-dicarbonitrile
CID 169425543
2,3-diamino-4-hydroxybenzonitrile
CID 171010799
2,6-diamino-3-methylbenzonitrile
CID 19079945
2-amino-3-hydroxy-6-nitrobenzonitrile
CID 171018562
4-amino-3-hydroxybenzonitrile;hydrochloride
CID 57364476
2-amino-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 90015414
3,4-diamino-2-(hydroxymethyl)phenol
CID 69421577
2-(1-aminopropyl)-3,6-dihydroxybenzonitrile
CID 130061973
2,3-diamino-6-(2-methoxyphenyl)benzonitrile
CID 25241803

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-6-hydroxybenzonitrile?
The IUPAC name of 2,3-diamino-6-hydroxybenzonitrile (CID 171010928) is 2,3-diamino-6-hydroxybenzonitrile.
What is the SMILES notation for 2,3-diamino-6-hydroxybenzonitrile?
The canonical SMILES for 2,3-diamino-6-hydroxybenzonitrile is N#Cc1c(O)ccc(N)c1N.
What is the InChIKey of 2,3-diamino-6-hydroxybenzonitrile?
The InChIKey is ADCWASKUFPWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2,11H,9-10H2.
What are the key properties of 2,3-diamino-6-hydroxybenzonitrile?
2,3-diamino-6-hydroxybenzonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-6-hydroxybenzonitrile is sourced from PubChem (CID 171010928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).