2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde

C100H72F5N25O3 — CID 158825874

About 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde

2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde (PubChem CID 158825874) has the molecular formula C100H72F5N25O3 and a molecular weight of 1766.84 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde.

Molecular Properties

• Compound Name: 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde
• PubChem CID: 158825874
• Molecular Formula: C100H72F5N25O3
• Molecular Weight: 1766.84 g/mol
• Exact Mass: 1765.62
• IUPAC Name: 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde
• SMILES: COc1cccc(OC)c1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1.Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1C.Fc1cc(-c2cccc3ccccc23)cc(-n2nnc(-c3ccccn3)n2)c1.O=Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1
• InChI: InChI=1S/C22H14FN5.C20H16FN5O2.C20H16FN5.C19H12FN5O.C19H14FN5/c23-17-12-16(20-9-5-7-15-6-1-2-8-19(15)20)13-18(14-17)28-26-22(25-27-28)21-10-3-4-11-24-21;1-27-17-7-5-8-18(28-2)19(17)13-10-14(21)12-15(11-13)26-24-20(23-25-26)16-6-3-4-9-22-16;1-13-6-5-7-18(14(13)2)15-10-16(21)12-17(11-15)26-24-20(23-25-26)19-8-3-4-9-22-19;20-15-9-14(17-6-2-1-5-13(17)12-26)10-16(11-15)25-23-19(22-24-25)18-7-3-4-8-21-18;1-13-5-4-6-14(9-13)15-10-16(20)12-17(11-15)25-23-19(22-24-25)18-7-2-3-8-21-18/h1-14H;3-12H,1-2H3;3-12H,1-2H3;1-12H;2-12H,1H3
• InChIKey: IWLINBFWBIEUIK-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 317.98 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.84
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde?

The IUPAC name of 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde (CID 158825874) is 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde.

What is the SMILES notation for 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde?

The canonical SMILES for 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde is COc1cccc(OC)c1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1.Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1C.Fc1cc(-c2cccc3ccccc23)cc(-n2nnc(-c3ccccn3)n2)c1.O=Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1.

What is the InChIKey of 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde?

The InChIKey is IWLINBFWBIEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5.C20H16FN5O2.C20H16FN5.C19H12FN5O.C19H14FN5/c23-17-12-16(20-9-5-7-15-6-1-2-8-19(15)20)13-18(14-17)28-26-22(25-27-28)21-10-3-4-11-24-21;1-27-17-7-5-8-18(28-2)19(17)13-10-14(21)12-15(11-13)26-24-20(23-25-26)16-6-3-4-9-22-16;1-13-6-5-7-18(14(13)2)15-10-16(21)12-17(11-15)26-24-20(23-25-26)19-8-3-4-9-22-19;20-15-9-14(17-6-2-1-5-13(17)12-26)10-16(11-15)25-23-19(22-24-25)18-7-3-4-8-21-18;1-13-5-4-6-14(9-13)15-10-16(20)12-17(11-15)25-23-19(22-24-25)18-7-2-3-8-21-18/h1-14H;3-12H,1-2H3;3-12H,1-2H3;1-12H;2-12H,1H3.

What are the key properties of 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde?

2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde has a molecular weight of 1766.84 g/mol, XLogP of 19.56, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 158825874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).