2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile

C9H7BrN2O2 — CID 171012382

IUPAC2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile
SMILESN#Cc1c(N)cc(O)cc1C(=O)CBr
InChIInChI=1S/C9H7BrN2O2/c10-3-9(14)6-1-5(13)2-8(12)7(6)4-11/h1-2,13H,3,12H2
InChIKeyUPOFRSAMOGVBSE-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile

2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile (PubChem CID 171012382) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile
PubChem CID171012382
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile
SMILESN#Cc1c(N)cc(O)cc1C(=O)CBr
InChIInChI=1S/C9H7BrN2O2/c10-3-9(14)6-1-5(13)2-8(12)7(6)4-11/h1-2,13H,3,12H2
InChIKeyUPOFRSAMOGVBSE-UHFFFAOYSA-N
XLogP1.42
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(2-bromoacetyl)-4-hydroxybenzonitrile
CID 171011550
2-amino-4-(2-bromoacetyl)-6-chlorobenzonitrile
CID 171018851
2-(2-bromoacetyl)-4,6-dimethylbenzonitrile
CID 171015930
2-(2-bromoacetyl)-6-methoxy-4-methylbenzonitrile
CID 171027071
2-(2-bromoacetyl)-6-methyl-4-(trifluoromethyl)benzonitrile
CID 171028172
6-(2-bromoacetyl)-2-fluoro-3-hydroxybenzonitrile
CID 171020748
2-(2-chloroacetyl)-6-fluoro-4-hydroxybenzonitrile
CID 171020679
6-amino-2-(2-bromoacetyl)-3-fluorobenzonitrile
CID 171011105
6-amino-2-(2-bromoacetyl)-3-chlorobenzonitrile
CID 171018913
2-(2-bromoacetyl)-5-methoxybenzonitrile
CID 130066531
3-(2-bromoacetyl)-4-hydroxy-5-iodobenzonitrile
CID 171019632
3-bromo-2-cyano-5-hydroxybenzoic acid
CID 121227769

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile?
The IUPAC name of 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile (CID 171012382) is 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile.
What is the SMILES notation for 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile?
The canonical SMILES for 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile is N#Cc1c(N)cc(O)cc1C(=O)CBr.
What is the InChIKey of 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile?
The InChIKey is UPOFRSAMOGVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-3-9(14)6-1-5(13)2-8(12)7(6)4-11/h1-2,13H,3,12H2.
What are the key properties of 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile?
2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile has a molecular weight of 255.07 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-bromoacetyl)-4-hydroxybenzonitrile is sourced from PubChem (CID 171012382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).