2-bromo-4-hydrazinylbenzoic acid

C7H7BrN2O2 — CID 119017518

IUPAC2-bromo-4-hydrazinylbenzoic acid
SMILESNNc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C7H7BrN2O2/c8-6-3-4(10-9)1-2-5(6)7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyYNXIFQPTMZRZCB-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.43
Rot. Bonds2

About 2-bromo-4-hydrazinylbenzoic acid

2-bromo-4-hydrazinylbenzoic acid (PubChem CID 119017518) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-bromo-4-hydrazinylbenzoic acid.

Molecular Properties

Compound Name2-bromo-4-hydrazinylbenzoic acid
PubChem CID119017518
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-bromo-4-hydrazinylbenzoic acid
SMILESNNc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C7H7BrN2O2/c8-6-3-4(10-9)1-2-5(6)7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyYNXIFQPTMZRZCB-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(benzylamino)-2-bromobenzoic acid
CID 107281682
2,4-dibromobenzoic acid
CID 11896
2-bromo-4-(2,2-dimethylbutylamino)benzoic acid
CID 107282368
2-bromo-4-(1-phenylethylamino)benzoic acid
CID 107281678
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
2-bromo-4-[(2,2-dimethylcyclopropyl)amino]benzoic acid
CID 107281793
2-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]benzoic acid
CID 106149542
2-bromo-4-[[2-(dimethylamino)-2-methylpropyl]amino]benzoic acid
CID 107281842
2-bromo-4-[(2,2-difluoro-3-hydroxypropyl)amino]benzoic acid
CID 106178629
2-bromo-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 107282258
2-bromoterephthalic acid;dihydrochloride
CID 175123722
4-(3-bromo-4-carbamoylanilino)benzoic acid
CID 107275335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-hydrazinylbenzoic acid?
The IUPAC name of 2-bromo-4-hydrazinylbenzoic acid (CID 119017518) is 2-bromo-4-hydrazinylbenzoic acid.
What is the SMILES notation for 2-bromo-4-hydrazinylbenzoic acid?
The canonical SMILES for 2-bromo-4-hydrazinylbenzoic acid is NNc1ccc(C(=O)O)c(Br)c1.
What is the InChIKey of 2-bromo-4-hydrazinylbenzoic acid?
The InChIKey is YNXIFQPTMZRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-6-3-4(10-9)1-2-5(6)7(11)12/h1-3,10H,9H2,(H,11,12).
What are the key properties of 2-bromo-4-hydrazinylbenzoic acid?
2-bromo-4-hydrazinylbenzoic acid has a molecular weight of 231.05 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-hydrazinylbenzoic acid is sourced from PubChem (CID 119017518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).