2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile

C19H11FN6 — CID 10149992

IUPAC2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H11FN6/c20-15-9-14(17-6-2-1-5-13(17)12-21)10-16(11-15)26-24-19(23-25-26)18-7-3-4-8-22-18/h1-11H
InChIKeyWXNPZGFGASAXOU-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.40
Rot. Bonds3

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

2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile (PubChem CID 10149992) has the molecular formula C19H11FN6 and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile
PubChem CID10149992
Molecular FormulaC19H11FN6
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H11FN6/c20-15-9-14(17-6-2-1-5-13(17)12-21)10-16(11-15)26-24-19(23-25-26)18-7-3-4-8-22-18/h1-11H
InChIKeyWXNPZGFGASAXOU-UHFFFAOYSA-N
XLogP3.40
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile (CID 10149992) is 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile?
The InChIKey is WXNPZGFGASAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6/c20-15-9-14(17-6-2-1-5-13(17)12-21)10-16(11-15)26-24-19(23-25-26)18-7-3-4-8-22-18/h1-11H.
What are the key properties of 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile?
2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile has a molecular weight of 342.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 10149992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).