5-bromo-4-hydroxy-2-nitrosobenzoic acid

C7H4BrNO4 — CID 143307568

IUPAC5-bromo-4-hydroxy-2-nitrosobenzoic acid
SMILESO=Nc1cc(O)c(Br)cc1C(=O)O
InChIInChI=1S/C7H4BrNO4/c8-4-1-3(7(11)12)5(9-13)2-6(4)10/h1-2,10H,(H,11,12)
InChIKeyIGVUGNGHWLBVHB-UHFFFAOYSA-N
MW246.02 g/mol
LogP2.25
Rot. Bonds2

About 5-bromo-4-hydroxy-2-nitrosobenzoic acid

5-bromo-4-hydroxy-2-nitrosobenzoic acid (PubChem CID 143307568) has the molecular formula C7H4BrNO4 and a molecular weight of 246.02 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-nitrosobenzoic acid.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-nitrosobenzoic acid
PubChem CID143307568
Molecular FormulaC7H4BrNO4
Molecular Weight246.02 g/mol
Exact Mass244.93
IUPAC Name5-bromo-4-hydroxy-2-nitrosobenzoic acid
SMILESO=Nc1cc(O)c(Br)cc1C(=O)O
InChIInChI=1S/C7H4BrNO4/c8-4-1-3(7(11)12)5(9-13)2-6(4)10/h1-2,10H,(H,11,12)
InChIKeyIGVUGNGHWLBVHB-UHFFFAOYSA-N
XLogP2.25
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-hydroxy-2-nitrosobenzoic acid 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

5-bromo-2-cyano-4-hydroxybenzoic acid
CID 121227775
2-nitroso-5-sulfanylbenzoic acid
CID 87490607
4-bromo-5-ethylphthalic acid
CID 91027917
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
2,4-difluoro-5-nitrosobenzoic acid
CID 126624391
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
3,5-dibromo-4-ethyl-2-hydroxybenzoic acid
CID 118470102
2-bromo-4-nitrosophenol
CID 23270210
2,5-dibromo-4-chlorobenzoic acid
CID 118497106
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
5-bromo-2-(4-bromo-2-carboxy-5-chlorophenyl)-4-chlorobenzoic acid
CID 142721146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-nitrosobenzoic acid?
The IUPAC name of 5-bromo-4-hydroxy-2-nitrosobenzoic acid (CID 143307568) is 5-bromo-4-hydroxy-2-nitrosobenzoic acid.
What is the SMILES notation for 5-bromo-4-hydroxy-2-nitrosobenzoic acid?
The canonical SMILES for 5-bromo-4-hydroxy-2-nitrosobenzoic acid is O=Nc1cc(O)c(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-4-hydroxy-2-nitrosobenzoic acid?
The InChIKey is IGVUGNGHWLBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO4/c8-4-1-3(7(11)12)5(9-13)2-6(4)10/h1-2,10H,(H,11,12).
What are the key properties of 5-bromo-4-hydroxy-2-nitrosobenzoic acid?
5-bromo-4-hydroxy-2-nitrosobenzoic acid has a molecular weight of 246.02 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-nitrosobenzoic acid is sourced from PubChem (CID 143307568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).