2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile

C17H9BrClNO — CID 63512034

IUPAC2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H9BrClNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-17-6-4-15(19)8-13(17)10-20/h1-9H
InChIKeyQAHPMOZDWXIBLQ-UHFFFAOYSA-N
MW358.62 g/mol
LogP5.92
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile

2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile (PubChem CID 63512034) has the molecular formula C17H9BrClNO and a molecular weight of 358.62 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
PubChem CID63512034
Molecular FormulaC17H9BrClNO
Molecular Weight358.62 g/mol
Exact Mass356.96
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H9BrClNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-17-6-4-15(19)8-13(17)10-20/h1-9H
InChIKeyQAHPMOZDWXIBLQ-UHFFFAOYSA-N
XLogP5.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
5-bromo-2-(4-bromo-3-methylphenoxy)benzonitrile
CID 114891091
4-(4-bromo-2-propan-2-ylphenoxy)-2-chlorobenzonitrile
CID 115401793

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile (CID 63512034) is 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile?
The InChIKey is QAHPMOZDWXIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-17-6-4-15(19)8-13(17)10-20/h1-9H.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile?
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile has a molecular weight of 358.62 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile is sourced from PubChem (CID 63512034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).