2-(2-amino-3-chlorophenoxy)benzonitrile

C13H9ClN2O — CID 104834949

IUPAC2-(2-amino-3-chlorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(Cl)c1N
InChIInChI=1S/C13H9ClN2O/c14-10-5-3-7-12(13(10)16)17-11-6-2-1-4-9(11)8-15/h1-7H,16H2
InChIKeyAKWZUMOVNWXPMD-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.59
Rot. Bonds2

About 2-(2-amino-3-chlorophenoxy)benzonitrile

2-(2-amino-3-chlorophenoxy)benzonitrile (PubChem CID 104834949) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(2-amino-3-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(2-amino-3-chlorophenoxy)benzonitrile
PubChem CID104834949
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-(2-amino-3-chlorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(Cl)c1N
InChIInChI=1S/C13H9ClN2O/c14-10-5-3-7-12(13(10)16)17-11-6-2-1-4-9(11)8-15/h1-7H,16H2
InChIKeyAKWZUMOVNWXPMD-UHFFFAOYSA-N
XLogP3.59
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-amino-3-(4-bromo-2,5-dichlorophenoxy)benzonitrile
CID 107655342
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
CID 12978921
2-(2-amino-3-chloro-N-methylanilino)benzonitrile
CID 104834743
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
2-chloro-6-(2,5-dichlorophenoxy)aniline
CID 113458716
2-chlorobenzonitrile
CID 139060041

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-chlorophenoxy)benzonitrile?
The IUPAC name of 2-(2-amino-3-chlorophenoxy)benzonitrile (CID 104834949) is 2-(2-amino-3-chlorophenoxy)benzonitrile.
What is the SMILES notation for 2-(2-amino-3-chlorophenoxy)benzonitrile?
The canonical SMILES for 2-(2-amino-3-chlorophenoxy)benzonitrile is N#Cc1ccccc1Oc1cccc(Cl)c1N.
What is the InChIKey of 2-(2-amino-3-chlorophenoxy)benzonitrile?
The InChIKey is AKWZUMOVNWXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-10-5-3-7-12(13(10)16)17-11-6-2-1-4-9(11)8-15/h1-7H,16H2.
What are the key properties of 2-(2-amino-3-chlorophenoxy)benzonitrile?
2-(2-amino-3-chlorophenoxy)benzonitrile has a molecular weight of 244.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-chlorophenoxy)benzonitrile is sourced from PubChem (CID 104834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).