2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine

C12H8FN5 — CID 90940369

IUPAC2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
SMILESFc1ccc(-c2cccc(-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C12H8FN5/c13-9-6-4-8(5-7-9)10-2-1-3-11(14-10)12-15-17-18-16-12/h1-7H,(H,15,16,17,18)
InChIKeyKTSTYYDZTSYJGO-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.07
Rot. Bonds2

About 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine

2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine (PubChem CID 90940369) has the molecular formula C12H8FN5 and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
PubChem CID90940369
Molecular FormulaC12H8FN5
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
SMILESFc1ccc(-c2cccc(-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C12H8FN5/c13-9-6-4-8(5-7-9)10-2-1-3-11(14-10)12-15-17-18-16-12/h1-7H,(H,15,16,17,18)
InChIKeyKTSTYYDZTSYJGO-UHFFFAOYSA-N
XLogP2.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine (CID 90940369) is 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine is Fc1ccc(-c2cccc(-c3nn[nH]n3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine?
The InChIKey is KTSTYYDZTSYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5/c13-9-6-4-8(5-7-9)10-2-1-3-11(14-10)12-15-17-18-16-12/h1-7H,(H,15,16,17,18).
What are the key properties of 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine?
2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine has a molecular weight of 241.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90940369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).