3-amino-2,5-dichlorobenzoic acid

C7H5Cl2NO2 — CID 8630

IUPAC3-amino-2,5-dichlorobenzoic acid
SMILESNc1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyHSSBORCLYSCBJR-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.27
Rot. Bonds1

About 3-amino-2,5-dichlorobenzoic acid

3-amino-2,5-dichlorobenzoic acid (PubChem CID 8630) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 3-amino-2,5-dichlorobenzoic acid.

Molecular Properties

Compound Name3-amino-2,5-dichlorobenzoic acid
PubChem CID8630
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name3-amino-2,5-dichlorobenzoic acid
SMILESNc1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyHSSBORCLYSCBJR-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 3-amino-2,5-dichlorobenzoic acid?
The IUPAC name of 3-amino-2,5-dichlorobenzoic acid (CID 8630) is 3-amino-2,5-dichlorobenzoic acid.
What is the SMILES notation for 3-amino-2,5-dichlorobenzoic acid?
The canonical SMILES for 3-amino-2,5-dichlorobenzoic acid is Nc1cc(Cl)cc(C(=O)O)c1Cl.
What is the InChIKey of 3-amino-2,5-dichlorobenzoic acid?
The InChIKey is HSSBORCLYSCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-2,5-dichlorobenzoic acid?
3-amino-2,5-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 3-amino-2,5-dichlorobenzoic acid is sourced from PubChem (CID 8630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).