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

C14H8FN5 — CID 72660942

IUPAC3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H8FN5/c15-12-6-10(9-16)7-13(8-12)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H
InChIKeyVHOJEZIKSXUAIT-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.34
Rot. Bonds2

About 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile

3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile (PubChem CID 72660942) has the molecular formula C14H8FN5 and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile
PubChem CID72660942
Molecular FormulaC14H8FN5
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H8FN5/c15-12-6-10(9-16)7-13(8-12)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H
InChIKeyVHOJEZIKSXUAIT-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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Related Compounds

2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole
CID 106530553
3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile
CID 11438054
5-fluoro-2-(5-phenyltetrazol-2-yl)benzonitrile
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2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
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3-[5-(1-methylpyridin-1-ium-3-yl)tetrazol-2-yl]benzonitrile iodide
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2,6-dimethyl-4-(5-phenyltetrazol-2-yl)pyridine-3-carbonitrile
CID 81059879
3-(5-phenyltetrazol-2-yl)benzoic acid
CID 63941692
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
4-[5-(3-fluorophenyl)tetrazol-2-yl]-3-nitrobenzonitrile
CID 18199976
3-fluoro-5-[5-(1-methoxy-1,2-dihydropyridin-1-ium-2-yl)tetrazol-2-yl]benzonitrile
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3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
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3-(5-quinolin-2-yltetrazol-2-yl)benzonitrile
CID 23158336

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile (CID 72660942) is 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile is N#Cc1cc(F)cc(-n2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile?
The InChIKey is VHOJEZIKSXUAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5/c15-12-6-10(9-16)7-13(8-12)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H.
What are the key properties of 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile?
3-fluoro-5-(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 3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile is sourced from PubChem (CID 72660942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).