2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile

C14H8FN5 — CID 78911068

IUPAC2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H8FN5/c15-12-7-4-8-13(11(12)9-16)20-18-14(17-19-20)10-5-2-1-3-6-10/h1-8H
InChIKeyZDAUTMSFNNIXFN-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.34
Rot. Bonds2

About 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile

2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile (PubChem CID 78911068) has the molecular formula C14H8FN5 and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
PubChem CID78911068
Molecular FormulaC14H8FN5
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H8FN5/c15-12-7-4-8-13(11(12)9-16)20-18-14(17-19-20)10-5-2-1-3-6-10/h1-8H
InChIKeyZDAUTMSFNNIXFN-UHFFFAOYSA-N
XLogP2.34
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile (CID 78911068) is 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile is N#Cc1c(F)cccc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile?
The InChIKey is ZDAUTMSFNNIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5/c15-12-7-4-8-13(11(12)9-16)20-18-14(17-19-20)10-5-2-1-3-6-10/h1-8H.
What are the key properties of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile?
2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile has a molecular weight of 265.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile is sourced from PubChem (CID 78911068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).