3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine

C20H16F2N6O2 — CID 58180024

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 58180024) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
• PubChem CID: 58180024
• Molecular Formula: C20H16F2N6O2
• Molecular Weight: 410.38 g/mol
• Exact Mass: 410.13
• IUPAC Name: 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
• SMILES: COc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1OC
• InChI: InChI=1S/C20H16F2N6O2/c1-29-16-7-6-11(9-17(16)30-2)12-8-13(19(23)24-10-12)20-25-26-27-28(20)15-5-3-4-14(21)18(15)22/h3-10H,1-2H3,(H2,23,24)
• InChIKey: GOYYVXNDXMOYMN-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 100.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.38
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine (CID 58180024) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1OC.

What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine?

The InChIKey is GOYYVXNDXMOYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-29-16-7-6-11(9-17(16)30-2)12-8-13(19(23)24-10-12)20-25-26-27-28(20)15-5-3-4-14(21)18(15)22/h3-10H,1-2H3,(H2,23,24).

What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine?

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 410.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 58180024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).