2-amino-5-(2,5-dichlorophenoxy)benzonitrile

C13H8Cl2N2O — CID 115499728

IUPAC2-amino-5-(2,5-dichlorophenoxy)benzonitrile
SMILESN#Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1N
InChIInChI=1S/C13H8Cl2N2O/c14-9-1-3-11(15)13(6-9)18-10-2-4-12(17)8(5-10)7-16/h1-6H,17H2
InChIKeyJQAIOUVGXQBOPV-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.24
Rot. Bonds2

About 2-amino-5-(2,5-dichlorophenoxy)benzonitrile

2-amino-5-(2,5-dichlorophenoxy)benzonitrile (PubChem CID 115499728) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-amino-5-(2,5-dichlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2,5-dichlorophenoxy)benzonitrile
PubChem CID115499728
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2-amino-5-(2,5-dichlorophenoxy)benzonitrile
SMILESN#Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1N
InChIInChI=1S/C13H8Cl2N2O/c14-9-1-3-11(15)13(6-9)18-10-2-4-12(17)8(5-10)7-16/h1-6H,17H2
InChIKeyJQAIOUVGXQBOPV-UHFFFAOYSA-N
XLogP4.24
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.24
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

4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
2-amino-5-(4-bromo-2-chlorophenoxy)benzonitrile
CID 115499780
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 115499745
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
4-(2,4,5-trichlorophenoxy)benzene-1,2-dicarbonitrile
CID 142771220
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dichlorophenoxy)benzonitrile?
The IUPAC name of 2-amino-5-(2,5-dichlorophenoxy)benzonitrile (CID 115499728) is 2-amino-5-(2,5-dichlorophenoxy)benzonitrile.
What is the SMILES notation for 2-amino-5-(2,5-dichlorophenoxy)benzonitrile?
The canonical SMILES for 2-amino-5-(2,5-dichlorophenoxy)benzonitrile is N#Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1N.
What is the InChIKey of 2-amino-5-(2,5-dichlorophenoxy)benzonitrile?
The InChIKey is JQAIOUVGXQBOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-9-1-3-11(15)13(6-9)18-10-2-4-12(17)8(5-10)7-16/h1-6H,17H2.
What are the key properties of 2-amino-5-(2,5-dichlorophenoxy)benzonitrile?
2-amino-5-(2,5-dichlorophenoxy)benzonitrile has a molecular weight of 279.13 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dichlorophenoxy)benzonitrile is sourced from PubChem (CID 115499728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).