4-bromo-2-(hydroxyamino)benzonitrile

C7H5BrN2O — CID 130500579

IUPAC4-bromo-2-(hydroxyamino)benzonitrile
SMILESN#Cc1ccc(Br)cc1NO
InChIInChI=1S/C7H5BrN2O/c8-6-2-1-5(4-9)7(3-6)10-11/h1-3,10-11H
InChIKeyLCRONAAMVRQAOR-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-2-(hydroxyamino)benzonitrile

4-bromo-2-(hydroxyamino)benzonitrile (PubChem CID 130500579) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 4-bromo-2-(hydroxyamino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(hydroxyamino)benzonitrile
PubChem CID130500579
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name4-bromo-2-(hydroxyamino)benzonitrile
SMILESN#Cc1ccc(Br)cc1NO
InChIInChI=1S/C7H5BrN2O/c8-6-2-1-5(4-9)7(3-6)10-11/h1-3,10-11H
InChIKeyLCRONAAMVRQAOR-UHFFFAOYSA-N
XLogP2.12
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-bromo-2-(1,3-dihydroxypropan-2-ylamino)benzonitrile
CID 114901948
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
3-(5-bromo-2-cyanoanilino)propanoic acid
CID 114900871
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
CID 155894207
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
4-(5-bromo-2-cyanoanilino)benzamide
CID 114901303
2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
CID 114901722
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 114905279

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(hydroxyamino)benzonitrile?
The IUPAC name of 4-bromo-2-(hydroxyamino)benzonitrile (CID 130500579) is 4-bromo-2-(hydroxyamino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(hydroxyamino)benzonitrile?
The canonical SMILES for 4-bromo-2-(hydroxyamino)benzonitrile is N#Cc1ccc(Br)cc1NO.
What is the InChIKey of 4-bromo-2-(hydroxyamino)benzonitrile?
The InChIKey is LCRONAAMVRQAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-6-2-1-5(4-9)7(3-6)10-11/h1-3,10-11H.
What are the key properties of 4-bromo-2-(hydroxyamino)benzonitrile?
4-bromo-2-(hydroxyamino)benzonitrile has a molecular weight of 213.03 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(hydroxyamino)benzonitrile is sourced from PubChem (CID 130500579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).