2-bromo-6-naphthalen-2-yloxybenzonitrile

C17H10BrNO — CID 114881557

IUPAC2-bromo-6-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H10BrNO/c18-16-6-3-7-17(15(16)11-19)20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10H
InChIKeyKQEMTBGYZVIAAI-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.27
Rot. Bonds2

About 2-bromo-6-naphthalen-2-yloxybenzonitrile

2-bromo-6-naphthalen-2-yloxybenzonitrile (PubChem CID 114881557) has the molecular formula C17H10BrNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-bromo-6-naphthalen-2-yloxybenzonitrile.

Molecular Properties

Compound Name2-bromo-6-naphthalen-2-yloxybenzonitrile
PubChem CID114881557
Molecular FormulaC17H10BrNO
Molecular Weight324.18 g/mol
Exact Mass322.99
IUPAC Name2-bromo-6-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H10BrNO/c18-16-6-3-7-17(15(16)11-19)20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10H
InChIKeyKQEMTBGYZVIAAI-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-6-(2-bromophenoxy)benzonitrile
CID 114881565
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
CID 106485665
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
2-bromo-6-(3-chloro-4-nitrophenoxy)benzonitrile
CID 114881660
2-bromo-4-naphthalen-1-yloxybenzonitrile
CID 107276928
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
2,6-diphenoxybenzonitrile
CID 71353957
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2-bromo-6-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 114881626

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-naphthalen-2-yloxybenzonitrile?
The IUPAC name of 2-bromo-6-naphthalen-2-yloxybenzonitrile (CID 114881557) is 2-bromo-6-naphthalen-2-yloxybenzonitrile.
What is the SMILES notation for 2-bromo-6-naphthalen-2-yloxybenzonitrile?
The canonical SMILES for 2-bromo-6-naphthalen-2-yloxybenzonitrile is N#Cc1c(Br)cccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-6-naphthalen-2-yloxybenzonitrile?
The InChIKey is KQEMTBGYZVIAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO/c18-16-6-3-7-17(15(16)11-19)20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10H.
What are the key properties of 2-bromo-6-naphthalen-2-yloxybenzonitrile?
2-bromo-6-naphthalen-2-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-6-naphthalen-2-yloxybenzonitrile is sourced from PubChem (CID 114881557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).