2-(2,5-diaminoanilino)-4-hydroxybenzonitrile

C13H12N4O — CID 118867545

IUPAC2-(2,5-diaminoanilino)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1Nc1cc(N)ccc1N
InChIInChI=1S/C13H12N4O/c14-7-8-1-3-10(18)6-12(8)17-13-5-9(15)2-4-11(13)16/h1-6,17-18H,15-16H2
InChIKeyYLEYTTHPANHUHX-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.17
Rot. Bonds2

About 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile

2-(2,5-diaminoanilino)-4-hydroxybenzonitrile (PubChem CID 118867545) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name2-(2,5-diaminoanilino)-4-hydroxybenzonitrile
PubChem CID118867545
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(2,5-diaminoanilino)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1Nc1cc(N)ccc1N
InChIInChI=1S/C13H12N4O/c14-7-8-1-3-10(18)6-12(8)17-13-5-9(15)2-4-11(13)16/h1-6,17-18H,15-16H2
InChIKeyYLEYTTHPANHUHX-UHFFFAOYSA-N
XLogP2.17
TPSA108.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
2,4-dihydroxybenzonitrile
CID 3017520
2-[4-amino-2-(difluoromethyl)anilino]benzonitrile
CID 55231381
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
CID 63360601
5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 61297301
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023
4-hydroxy-2-sulfanylbenzonitrile
CID 91873860

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile?
The IUPAC name of 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile (CID 118867545) is 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile.
What is the SMILES notation for 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile?
The canonical SMILES for 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile is N#Cc1ccc(O)cc1Nc1cc(N)ccc1N.
What is the InChIKey of 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile?
The InChIKey is YLEYTTHPANHUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-8-1-3-10(18)6-12(8)17-13-5-9(15)2-4-11(13)16/h1-6,17-18H,15-16H2.
What are the key properties of 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile?
2-(2,5-diaminoanilino)-4-hydroxybenzonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diaminoanilino)-4-hydroxybenzonitrile is sourced from PubChem (CID 118867545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).