3-amino-5-(2,3-dichlorophenyl)benzoic acid

C13H9Cl2NO2 — CID 53227648

IUPAC3-amino-5-(2,3-dichlorophenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-11-3-1-2-10(12(11)15)7-4-8(13(17)18)6-9(16)5-7/h1-6H,16H2,(H,17,18)
InChIKeyJDGIGGMEJMWINN-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.94
Rot. Bonds2

About 3-amino-5-(2,3-dichlorophenyl)benzoic acid

3-amino-5-(2,3-dichlorophenyl)benzoic acid (PubChem CID 53227648) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 3-amino-5-(2,3-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2,3-dichlorophenyl)benzoic acid
PubChem CID53227648
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name3-amino-5-(2,3-dichlorophenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-11-3-1-2-10(12(11)15)7-4-8(13(17)18)6-9(16)5-7/h1-6H,16H2,(H,17,18)
InChIKeyJDGIGGMEJMWINN-UHFFFAOYSA-N
XLogP3.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,3-dichlorophenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2,3-dichlorophenyl)benzoic acid (CID 53227648) is 3-amino-5-(2,3-dichlorophenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2,3-dichlorophenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2,3-dichlorophenyl)benzoic acid is Nc1cc(C(=O)O)cc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-amino-5-(2,3-dichlorophenyl)benzoic acid?
The InChIKey is JDGIGGMEJMWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-11-3-1-2-10(12(11)15)7-4-8(13(17)18)6-9(16)5-7/h1-6H,16H2,(H,17,18).
What are the key properties of 3-amino-5-(2,3-dichlorophenyl)benzoic acid?
3-amino-5-(2,3-dichlorophenyl)benzoic acid has a molecular weight of 282.13 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,3-dichlorophenyl)benzoic acid is sourced from PubChem (CID 53227648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).