3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile

C13H7FN6 — CID 10400683

IUPAC3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H
InChIKeyNNUSSUPIQZLYJW-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.74
Rot. Bonds2

About 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile

3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile (PubChem CID 10400683) has the molecular formula C13H7FN6 and a molecular weight of 266.24 g/mol. Its IUPAC name is 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
PubChem CID10400683
Molecular FormulaC13H7FN6
Molecular Weight266.24 g/mol
Exact Mass266.07
IUPAC Name3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H
InChIKeyNNUSSUPIQZLYJW-UHFFFAOYSA-N
XLogP1.74
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile (CID 10400683) is 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile is N#Cc1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
The InChIKey is NNUSSUPIQZLYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H.
What are the key properties of 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile?
3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile has a molecular weight of 266.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile is sourced from PubChem (CID 10400683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).