3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide

C13H12BrNO3 — CID 57483789

IUPAC3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
SMILESBr.Nc1cccc(-c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C13H11NO3.BrH/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17;/h1-7,15H,14H2,(H,16,17);1H
InChIKeyLIIUUBUEBVCYDA-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.92
Rot. Bonds2

About 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide

3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide (PubChem CID 57483789) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide.

Molecular Properties

Compound Name3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
PubChem CID57483789
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
SMILESBr.Nc1cccc(-c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C13H11NO3.BrH/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17;/h1-7,15H,14H2,(H,16,17);1H
InChIKeyLIIUUBUEBVCYDA-UHFFFAOYSA-N
XLogP2.92
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-amino-5-chloro-2-hydroxyphenyl)benzoic acid
CID 21072314
N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide
CID 143836193
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
CID 141486571
3-aminobenzene-1,2-diol;3,4-dihydroxybenzoic acid
CID 67235980
6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 82556241
3-(4,6-diamino-1,3,5-triazin-2-yl)benzoic acid
CID 139724485
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-(5-amino-2-phenylpyrimidin-4-yl)benzoic acid
CID 174517025
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide?
The IUPAC name of 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide (CID 57483789) is 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide.
What is the SMILES notation for 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide?
The canonical SMILES for 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide is Br.Nc1cccc(-c2cccc(C(=O)O)c2)c1O.
What is the InChIKey of 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide?
The InChIKey is LIIUUBUEBVCYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3.BrH/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17;/h1-7,15H,14H2,(H,16,17);1H.
What are the key properties of 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide?
3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide has a molecular weight of 310.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide is sourced from PubChem (CID 57483789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).