5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid

C11H7N3O3 — CID 168511873

IUPAC5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid
SMILESN#CC(C#N)=CNc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H7N3O3/c12-4-7(5-13)6-14-8-1-2-10(15)9(3-8)11(16)17/h1-3,6,14-15H,(H,16,17)
InChIKeyHIDAYVDKYUPLGC-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.43
Rot. Bonds3

About 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid

5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid (PubChem CID 168511873) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid
PubChem CID168511873
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid
SMILESN#CC(C#N)=CNc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H7N3O3/c12-4-7(5-13)6-14-8-1-2-10(15)9(3-8)11(16)17/h1-3,6,14-15H,(H,16,17)
InChIKeyHIDAYVDKYUPLGC-UHFFFAOYSA-N
XLogP1.43
TPSA117.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2,2-dicyanoethenylamino)benzoic acid
CID 168541201
5-(2,2-dicyanoethenylamino)-2-nitrobenzoic acid
CID 168541449
5-(cyanomethylamino)-2-hydroxybenzoic acid
CID 45089274
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
2-[(4-hydroxy-3-propan-2-ylanilino)methylidene]propanedinitrile
CID 168545003
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-hydroxybenzoic acid
CID 172931662
2-hydroxy-5-(sulfanylamino)benzoic acid
CID 170946645
2-[[3-hydroxy-4-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168542994
5-[[2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]-2-hydroxybenzoic acid
CID 3774186
5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
CID 168543669
4-(2,2-dicyanoethenylamino)-3-hydroxybenzoic acid
CID 168545336
5-(2,2-dicyanoethenylamino)-2-methylbenzenesulfonamide
CID 168545463

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid (CID 168511873) is 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid is N#CC(C#N)=CNc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid?
The InChIKey is HIDAYVDKYUPLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c12-4-7(5-13)6-14-8-1-2-10(15)9(3-8)11(16)17/h1-3,6,14-15H,(H,16,17).
What are the key properties of 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid?
5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid has a molecular weight of 229.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 168511873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).