2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile

C15H9N3O2 — CID 56647959

IUPAC2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2O)cc(C#N)c1N
InChIInChI=1S/C15H9N3O2/c16-7-10-5-9(6-11(8-17)14(10)18)15(20)12-3-1-2-4-13(12)19/h1-6,19H,18H2
InChIKeyMZCSVAJNERGHSK-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile

2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile (PubChem CID 56647959) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
PubChem CID56647959
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2O)cc(C#N)c1N
InChIInChI=1S/C15H9N3O2/c16-7-10-5-9(6-11(8-17)14(10)18)15(20)12-3-1-2-4-13(12)19/h1-6,19H,18H2
InChIKeyMZCSVAJNERGHSK-UHFFFAOYSA-N
XLogP1.95
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-hydroxybenzoyl)pyridine-3-carbonitrile
CID 14714980
5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
CID 3079411
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
CID 56647866
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-propylbenzoate
CID 56647864
3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
CID 70437560
3-acetyl-2-aminobenzonitrile
CID 45086189
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
CID 67432245
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
3,4-diamino-5-cyanobenzoic acid
CID 131052899
4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
CID 10912682
2-amino-5-[2-(cyclopropylamino)acetyl]benzene-1,3-dicarbonitrile
CID 13355676

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile (CID 56647959) is 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile is N#Cc1cc(C(=O)c2ccccc2O)cc(C#N)c1N.
What is the InChIKey of 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile?
The InChIKey is MZCSVAJNERGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-7-10-5-9(6-11(8-17)14(10)18)15(20)12-3-1-2-4-13(12)19/h1-6,19H,18H2.
What are the key properties of 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile?
2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile has a molecular weight of 263.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 56647959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).