azane;4-bromo-2-hydroxybenzonitrile

C7H7BrN2O — CID 135147435

IUPACazane;4-bromo-2-hydroxybenzonitrile
SMILESN.N#Cc1ccc(Br)cc1O
InChIInChI=1S/C7H4BrNO.H3N/c8-6-2-1-5(4-9)7(10)3-6;/h1-3,10H;1H3
InChIKeyDRZQTQGJOZYMJD-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.19
Rot. Bonds

About azane;4-bromo-2-hydroxybenzonitrile

azane;4-bromo-2-hydroxybenzonitrile (PubChem CID 135147435) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is azane;4-bromo-2-hydroxybenzonitrile.

Molecular Properties

Compound Nameazane;4-bromo-2-hydroxybenzonitrile
PubChem CID135147435
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Nameazane;4-bromo-2-hydroxybenzonitrile
SMILESN.N#Cc1ccc(Br)cc1O
InChIInChI=1S/C7H4BrNO.H3N/c8-6-2-1-5(4-9)7(10)3-6;/h1-3,10H;1H3
InChIKeyDRZQTQGJOZYMJD-UHFFFAOYSA-N
XLogP2.19
TPSA79.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azane;4-bromo-2-hydroxybenzonitrile 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

2,4-dihydroxybenzonitrile
CID 3017520
4-bromo-2-sulfanylbenzonitrile
CID 70106484
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846
copper;2,4-dibromobenzonitrile;dicyanide
CID 162195305
4-bromo-2-[(E)-3-hydroxyprop-2-enyl]benzonitrile
CID 163853315
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
4-bromo-2-(4-hydroxyphenyl)sulfanylbenzonitrile
CID 114906905
4-bromo-2-[(1R)-1-bromoethyl]benzonitrile
CID 125469489
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-bromo-2-(methylamino)benzonitrile
CID 24903089
5-bromo-2-(hydroxymethyl)benzonitrile
CID 91883254

Frequently Asked Questions

What is the IUPAC name of azane;4-bromo-2-hydroxybenzonitrile?
The IUPAC name of azane;4-bromo-2-hydroxybenzonitrile (CID 135147435) is azane;4-bromo-2-hydroxybenzonitrile.
What is the SMILES notation for azane;4-bromo-2-hydroxybenzonitrile?
The canonical SMILES for azane;4-bromo-2-hydroxybenzonitrile is N.N#Cc1ccc(Br)cc1O.
What is the InChIKey of azane;4-bromo-2-hydroxybenzonitrile?
The InChIKey is DRZQTQGJOZYMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO.H3N/c8-6-2-1-5(4-9)7(10)3-6;/h1-3,10H;1H3.
What are the key properties of azane;4-bromo-2-hydroxybenzonitrile?
azane;4-bromo-2-hydroxybenzonitrile has a molecular weight of 215.05 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-bromo-2-hydroxybenzonitrile is sourced from PubChem (CID 135147435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).