5-amino-2,4-dichlorobenzoic acid

C7H5Cl2NO2 — CID 5200245

IUPAC5-amino-2,4-dichlorobenzoic acid
SMILESNc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyGWQAKTJQXQZZNO-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.27
Rot. Bonds1

About 5-amino-2,4-dichlorobenzoic acid

5-amino-2,4-dichlorobenzoic acid (PubChem CID 5200245) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 5-amino-2,4-dichlorobenzoic acid.

Molecular Properties

Compound Name5-amino-2,4-dichlorobenzoic acid
PubChem CID5200245
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name5-amino-2,4-dichlorobenzoic acid
SMILESNc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyGWQAKTJQXQZZNO-UHFFFAOYSA-N
XLogP2.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.27
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 5-amino-2,4-dichlorobenzoic acid?
The IUPAC name of 5-amino-2,4-dichlorobenzoic acid (CID 5200245) is 5-amino-2,4-dichlorobenzoic acid.
What is the SMILES notation for 5-amino-2,4-dichlorobenzoic acid?
The canonical SMILES for 5-amino-2,4-dichlorobenzoic acid is Nc1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 5-amino-2,4-dichlorobenzoic acid?
The InChIKey is GWQAKTJQXQZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12).
What are the key properties of 5-amino-2,4-dichlorobenzoic acid?
5-amino-2,4-dichlorobenzoic acid has a molecular weight of 206.03 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dichlorobenzoic acid is sourced from PubChem (CID 5200245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).