4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile

C17H9Br2NO — CID 114902438

IUPAC4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H9Br2NO/c18-13-7-5-12(10-20)16(9-13)21-15-8-6-11-3-1-2-4-14(11)17(15)19/h1-9H
InChIKeyIWVQLSIVDDHSRX-UHFFFAOYSA-N
MW403.07 g/mol
LogP6.03
Rot. Bonds2

About 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile

4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile (PubChem CID 114902438) has the molecular formula C17H9Br2NO and a molecular weight of 403.07 g/mol. Its IUPAC name is 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
PubChem CID114902438
Molecular FormulaC17H9Br2NO
Molecular Weight403.07 g/mol
Exact Mass400.91
IUPAC Name4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C17H9Br2NO/c18-13-7-5-12(10-20)16(9-13)21-15-8-6-11-3-1-2-4-14(11)17(15)19/h1-9H
InChIKeyIWVQLSIVDDHSRX-UHFFFAOYSA-N
XLogP6.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.07
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
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3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
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4-bromo-2-(2-bromo-3-nitrophenoxy)benzonitrile
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4-bromo-2-quinolin-8-yloxybenzonitrile
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4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
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4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-bromo-2-(2-phenoxyethoxy)benzonitrile
CID 114902339
4-bromo-2-(5-bromo-2-cyanophenoxy)benzoic acid
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2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
CID 114846123
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile?
The IUPAC name of 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile (CID 114902438) is 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile.
What is the SMILES notation for 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile?
The canonical SMILES for 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile is N#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile?
The InChIKey is IWVQLSIVDDHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Br2NO/c18-13-7-5-12(10-20)16(9-13)21-15-8-6-11-3-1-2-4-14(11)17(15)19/h1-9H.
What are the key properties of 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile?
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile has a molecular weight of 403.07 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile is sourced from PubChem (CID 114902438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).