2-bromo-4-naphthalen-1-yloxybenzonitrile

C17H10BrNO — CID 107276928

IUPAC2-bromo-4-naphthalen-1-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ccccc23)cc1Br
InChIInChI=1S/C17H10BrNO/c18-16-10-14(9-8-13(16)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H
InChIKeyAZGYCXJKHLGKQU-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.27
Rot. Bonds2

About 2-bromo-4-naphthalen-1-yloxybenzonitrile

2-bromo-4-naphthalen-1-yloxybenzonitrile (PubChem CID 107276928) has the molecular formula C17H10BrNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-bromo-4-naphthalen-1-yloxybenzonitrile.

Molecular Properties

Compound Name2-bromo-4-naphthalen-1-yloxybenzonitrile
PubChem CID107276928
Molecular FormulaC17H10BrNO
Molecular Weight324.18 g/mol
Exact Mass322.99
IUPAC Name2-bromo-4-naphthalen-1-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ccccc23)cc1Br
InChIInChI=1S/C17H10BrNO/c18-16-10-14(9-8-13(16)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H
InChIKeyAZGYCXJKHLGKQU-UHFFFAOYSA-N
XLogP5.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.18
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-chlorophenoxy)benzonitrile
CID 107276919
2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
3-amino-4-(3-bromo-4-cyanophenoxy)benzonitrile
CID 107280443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-naphthalen-1-yloxybenzonitrile?
The IUPAC name of 2-bromo-4-naphthalen-1-yloxybenzonitrile (CID 107276928) is 2-bromo-4-naphthalen-1-yloxybenzonitrile.
What is the SMILES notation for 2-bromo-4-naphthalen-1-yloxybenzonitrile?
The canonical SMILES for 2-bromo-4-naphthalen-1-yloxybenzonitrile is N#Cc1ccc(Oc2cccc3ccccc23)cc1Br.
What is the InChIKey of 2-bromo-4-naphthalen-1-yloxybenzonitrile?
The InChIKey is AZGYCXJKHLGKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO/c18-16-10-14(9-8-13(16)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H.
What are the key properties of 2-bromo-4-naphthalen-1-yloxybenzonitrile?
2-bromo-4-naphthalen-1-yloxybenzonitrile has a molecular weight of 324.18 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-naphthalen-1-yloxybenzonitrile is sourced from PubChem (CID 107276928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).