5-amino-4-bromo-2-hydroxybenzonitrile

C7H5BrN2O — CID 131543727

IUPAC5-amino-4-bromo-2-hydroxybenzonitrile
SMILESN#Cc1cc(N)c(Br)cc1O
InChIInChI=1S/C7H5BrN2O/c8-5-2-7(11)4(3-9)1-6(5)10/h1-2,11H,10H2
InChIKeyDFPIYLWNSSQMTR-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.61
Rot. Bonds

About 5-amino-4-bromo-2-hydroxybenzonitrile

5-amino-4-bromo-2-hydroxybenzonitrile (PubChem CID 131543727) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 5-amino-4-bromo-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-amino-4-bromo-2-hydroxybenzonitrile
PubChem CID131543727
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name5-amino-4-bromo-2-hydroxybenzonitrile
SMILESN#Cc1cc(N)c(Br)cc1O
InChIInChI=1S/C7H5BrN2O/c8-5-2-7(11)4(3-9)1-6(5)10/h1-2,11H,10H2
InChIKeyDFPIYLWNSSQMTR-UHFFFAOYSA-N
XLogP1.61
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-2-fluorobenzonitrile
CID 53415061
2-acetyl-5-amino-4-bromobenzonitrile
CID 171011745
5-bromo-2-hydroxy-4-methylbenzonitrile
CID 67186294
3-amino-5-bromo-2-hydroxybenzonitrile
CID 58597163
5-amino-4-bromo-2-(trifluoromethoxy)benzonitrile
CID 131295537
2,4-dibromo-5-hydroxybenzonitrile
CID 131338627
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
5-amino-2-bromo-4-methoxybenzonitrile
CID 131504972
5-bromo-2-fluoro-4-hydroxybenzonitrile
CID 90427411
2-amino-5-hydroxypyridine-4-carbonitrile
CID 119023533
4-bromo-5-hydroxy-2-methylbenzonitrile
CID 131314645
4-amino-2-bromo-5-chlorobenzonitrile
CID 166522473

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-hydroxybenzonitrile?
The IUPAC name of 5-amino-4-bromo-2-hydroxybenzonitrile (CID 131543727) is 5-amino-4-bromo-2-hydroxybenzonitrile.
What is the SMILES notation for 5-amino-4-bromo-2-hydroxybenzonitrile?
The canonical SMILES for 5-amino-4-bromo-2-hydroxybenzonitrile is N#Cc1cc(N)c(Br)cc1O.
What is the InChIKey of 5-amino-4-bromo-2-hydroxybenzonitrile?
The InChIKey is DFPIYLWNSSQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-5-2-7(11)4(3-9)1-6(5)10/h1-2,11H,10H2.
What are the key properties of 5-amino-4-bromo-2-hydroxybenzonitrile?
5-amino-4-bromo-2-hydroxybenzonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-hydroxybenzonitrile is sourced from PubChem (CID 131543727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).