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

C13H10Br2N2O2 — CID 113332723

IUPAC2-amino-3-(2,5-dibromoanilino)benzoic acid
SMILESNc1c(Nc2cc(Br)ccc2Br)cccc1C(=O)O
InChIInChI=1S/C13H10Br2N2O2/c14-7-4-5-9(15)11(6-7)17-10-3-1-2-8(12(10)16)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyPUXAAFWZZPAOMU-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.24
Rot. Bonds3

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

2-amino-3-(2,5-dibromoanilino)benzoic acid (PubChem CID 113332723) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 2-amino-3-(2,5-dibromoanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-dibromoanilino)benzoic acid
PubChem CID113332723
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name2-amino-3-(2,5-dibromoanilino)benzoic acid
SMILESNc1c(Nc2cc(Br)ccc2Br)cccc1C(=O)O
InChIInChI=1S/C13H10Br2N2O2/c14-7-4-5-9(15)11(6-7)17-10-3-1-2-8(12(10)16)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyPUXAAFWZZPAOMU-UHFFFAOYSA-N
XLogP4.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(5-bromo-2-fluoroanilino)benzoic acid
CID 113332604
2-amino-3-(2-bromo-5-fluoroanilino)benzoic acid
CID 107637907
methyl 2-amino-3-(2,5-dibromoanilino)benzoate
CID 115545220
3-(2,5-dibromoanilino)-2-nitrobenzoic acid
CID 115542274
2-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 113332421
2-amino-3-(2-bromo-4-methylanilino)benzoic acid
CID 115544238
2-amino-3-(2-bromo-5-chloro-4-methylanilino)benzoic acid
CID 104725056
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
2-amino-3-(3-bromo-4-methylanilino)benzoic acid
CID 113332977
5-amino-3-chloro-2-(2,5-dibromoanilino)benzoic acid
CID 107194856
2-amino-3-(4-cyanoanilino)benzoic acid
CID 113332473

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dibromoanilino)benzoic acid?
The IUPAC name of 2-amino-3-(2,5-dibromoanilino)benzoic acid (CID 113332723) is 2-amino-3-(2,5-dibromoanilino)benzoic acid.
What is the SMILES notation for 2-amino-3-(2,5-dibromoanilino)benzoic acid?
The canonical SMILES for 2-amino-3-(2,5-dibromoanilino)benzoic acid is Nc1c(Nc2cc(Br)ccc2Br)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(2,5-dibromoanilino)benzoic acid?
The InChIKey is PUXAAFWZZPAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-7-4-5-9(15)11(6-7)17-10-3-1-2-8(12(10)16)13(18)19/h1-6,17H,16H2,(H,18,19).
What are the key properties of 2-amino-3-(2,5-dibromoanilino)benzoic acid?
2-amino-3-(2,5-dibromoanilino)benzoic acid has a molecular weight of 386.04 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dibromoanilino)benzoic acid is sourced from PubChem (CID 113332723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).