3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile

C14H9Br2NO — CID 102818236

IUPAC3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1cc(Br)cc(OCc2ccccc2Br)c1
InChIInChI=1S/C14H9Br2NO/c15-12-5-10(8-17)6-13(7-12)18-9-11-3-1-2-4-14(11)16/h1-7H,9H2
InChIKeySGXLNOXSVBFRNO-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.66
Rot. Bonds3

About 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile

3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile (PubChem CID 102818236) has the molecular formula C14H9Br2NO and a molecular weight of 367.04 g/mol. Its IUPAC name is 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
PubChem CID102818236
Molecular FormulaC14H9Br2NO
Molecular Weight367.04 g/mol
Exact Mass364.91
IUPAC Name3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1cc(Br)cc(OCc2ccccc2Br)c1
InChIInChI=1S/C14H9Br2NO/c15-12-5-10(8-17)6-13(7-12)18-9-11-3-1-2-4-14(11)16/h1-7H,9H2
InChIKeySGXLNOXSVBFRNO-UHFFFAOYSA-N
XLogP4.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
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3-bromo-5-(2-ethylphenoxy)benzonitrile
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4-[(2-bromophenyl)methoxy]phenol
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2-[2-amino-5-[(2-bromophenyl)methoxy]phenyl]acetonitrile
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2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
3-bromo-5-(2-methylpropoxy)benzonitrile
CID 102817718
3-bromo-5-(1-phenylmethoxypropan-2-yloxy)benzonitrile
CID 68711052
3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103567000
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
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2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile?
The IUPAC name of 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile (CID 102818236) is 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile is N#Cc1cc(Br)cc(OCc2ccccc2Br)c1.
What is the InChIKey of 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile?
The InChIKey is SGXLNOXSVBFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO/c15-12-5-10(8-17)6-13(7-12)18-9-11-3-1-2-4-14(11)16/h1-7H,9H2.
What are the key properties of 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile?
3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile has a molecular weight of 367.04 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102818236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).