4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid

C13H9ClN2O3 — CID 102029732

IUPAC4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccccc2Cl)cc1O
InChIInChI=1S/C13H9ClN2O3/c14-10-3-1-2-4-11(10)16-15-8-5-6-9(13(18)19)12(17)7-8/h1-7,17H,(H,18,19)/b16-15+
InChIKeyZUYAMDGCTXPIDS-FOCLMDBBSA-N
MW276.68 g/mol
LogP4.16
Rot. Bonds3

About 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid

4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid (PubChem CID 102029732) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
PubChem CID102029732
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccccc2Cl)cc1O
InChIInChI=1S/C13H9ClN2O3/c14-10-3-1-2-4-11(10)16-15-8-5-6-9(13(18)19)12(17)7-8/h1-7,17H,(H,18,19)/b16-15+
InChIKeyZUYAMDGCTXPIDS-FOCLMDBBSA-N
XLogP4.16
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
CID 21276031
2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
CID 22035165
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 167289773
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3444435
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 137059706
2-(4-bromophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135579462
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid
CID 11093530

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid (CID 102029732) is 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(/N=N/c2ccccc2Cl)cc1O.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid?
The InChIKey is ZUYAMDGCTXPIDS-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-10-3-1-2-4-11(10)16-15-8-5-6-9(13(18)19)12(17)7-8/h1-7,17H,(H,18,19)/b16-15+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid?
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid has a molecular weight of 276.68 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 102029732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).