2-bromo-5-(3-fluorophenyl)benzonitrile

C13H7BrFN — CID 162689899

IUPAC2-bromo-5-(3-fluorophenyl)benzonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H7BrFN/c14-13-5-4-10(6-11(13)8-16)9-2-1-3-12(15)7-9/h1-7H
InChIKeyGMZFPFNVTVFMMU-UHFFFAOYSA-N
MW276.11 g/mol
LogP4.13
Rot. Bonds1

About 2-bromo-5-(3-fluorophenyl)benzonitrile

2-bromo-5-(3-fluorophenyl)benzonitrile (PubChem CID 162689899) has the molecular formula C13H7BrFN and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-bromo-5-(3-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name2-bromo-5-(3-fluorophenyl)benzonitrile
PubChem CID162689899
Molecular FormulaC13H7BrFN
Molecular Weight276.11 g/mol
Exact Mass274.97
IUPAC Name2-bromo-5-(3-fluorophenyl)benzonitrile
SMILESN#Cc1cc(-c2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H7BrFN/c14-13-5-4-10(6-11(13)8-16)9-2-1-3-12(15)7-9/h1-7H
InChIKeyGMZFPFNVTVFMMU-UHFFFAOYSA-N
XLogP4.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
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4-bromo-2-fluoro-5-[(3-fluorophenyl)-hydroxymethyl]benzonitrile
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1-(2-bromoethyl)-4-(3-fluorophenyl)pyrrole-3-carbonitrile
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2-bromo-5-methylbenzonitrile
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1-fluoro-3-phenylbenzene;phosphane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-fluorophenyl)benzonitrile?
The IUPAC name of 2-bromo-5-(3-fluorophenyl)benzonitrile (CID 162689899) is 2-bromo-5-(3-fluorophenyl)benzonitrile.
What is the SMILES notation for 2-bromo-5-(3-fluorophenyl)benzonitrile?
The canonical SMILES for 2-bromo-5-(3-fluorophenyl)benzonitrile is N#Cc1cc(-c2cccc(F)c2)ccc1Br.
What is the InChIKey of 2-bromo-5-(3-fluorophenyl)benzonitrile?
The InChIKey is GMZFPFNVTVFMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN/c14-13-5-4-10(6-11(13)8-16)9-2-1-3-12(15)7-9/h1-7H.
What are the key properties of 2-bromo-5-(3-fluorophenyl)benzonitrile?
2-bromo-5-(3-fluorophenyl)benzonitrile has a molecular weight of 276.11 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-fluorophenyl)benzonitrile is sourced from PubChem (CID 162689899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).