3-bromo-5-hydrazinylbenzoic acid;hydrochloride

C7H8BrClN2O2 — CID 90375905

IUPAC3-bromo-5-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C7H7BrN2O2.ClH/c8-5-1-4(7(11)12)2-6(3-5)10-9;/h1-3,10H,9H2,(H,11,12);1H
InChIKeyHPXQNPPYQHVKGF-UHFFFAOYSA-N
MW267.51 g/mol
LogP1.85
Rot. Bonds2

About 3-bromo-5-hydrazinylbenzoic acid;hydrochloride

3-bromo-5-hydrazinylbenzoic acid;hydrochloride (PubChem CID 90375905) has the molecular formula C7H8BrClN2O2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 3-bromo-5-hydrazinylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-hydrazinylbenzoic acid;hydrochloride
PubChem CID90375905
Molecular FormulaC7H8BrClN2O2
Molecular Weight267.51 g/mol
Exact Mass265.95
IUPAC Name3-bromo-5-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C7H7BrN2O2.ClH/c8-5-1-4(7(11)12)2-6(3-5)10-9;/h1-3,10H,9H2,(H,11,12);1H
InChIKeyHPXQNPPYQHVKGF-UHFFFAOYSA-N
XLogP1.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 51.85
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

3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971617
3-bromo-5-(piperidin-1-ylamino)benzoic acid
CID 102823286
3-bromo-5-[(4-methylpiperazin-1-yl)amino]benzoic acid
CID 102823288
3-bromo-5-(2-sulfamoylethylamino)benzoic acid
CID 102822453
3-bromo-5-(3,3-dimethylbutylamino)benzoic acid
CID 102823430
2-(3-bromo-5-hydrazinylphenyl)acetic acid
CID 131091029
3-bromo-5-(cyclohexylamino)benzoic acid
CID 82933000
3-bromo-5-(pentylamino)benzoic acid
CID 102822403
3-bromo-5-(ethylsulfamoylamino)benzoic acid
CID 114806789
3-bromo-5-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606279
3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-5-bromobenzoic acid
CID 115448769
3-bromo-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoic acid
CID 102823118

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-hydrazinylbenzoic acid;hydrochloride?
The IUPAC name of 3-bromo-5-hydrazinylbenzoic acid;hydrochloride (CID 90375905) is 3-bromo-5-hydrazinylbenzoic acid;hydrochloride.
What is the SMILES notation for 3-bromo-5-hydrazinylbenzoic acid;hydrochloride?
The canonical SMILES for 3-bromo-5-hydrazinylbenzoic acid;hydrochloride is Cl.NNc1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-hydrazinylbenzoic acid;hydrochloride?
The InChIKey is HPXQNPPYQHVKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2.ClH/c8-5-1-4(7(11)12)2-6(3-5)10-9;/h1-3,10H,9H2,(H,11,12);1H.
What are the key properties of 3-bromo-5-hydrazinylbenzoic acid;hydrochloride?
3-bromo-5-hydrazinylbenzoic acid;hydrochloride has a molecular weight of 267.51 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-hydrazinylbenzoic acid;hydrochloride is sourced from PubChem (CID 90375905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).