3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C14H8F2N4 — CID 105392560

About 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392560) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• PubChem CID: 105392560
• Molecular Formula: C14H8F2N4
• Molecular Weight: 270.24 g/mol
• Exact Mass: 270.07
• IUPAC Name: 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• SMILES: N#Cc1ccc2nnc(Cc3cccc(F)c3F)n2c1
• InChI: InChI=1S/C14H8F2N4/c15-11-3-1-2-10(14(11)16)6-13-19-18-12-5-4-9(7-17)8-20(12)13/h1-5,8H,6H2
• InChIKey: ACORVPLTWZBLQS-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 53.98 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.24
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392560) is 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(Cc3cccc(F)c3F)n2c1.

What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The InChIKey is ACORVPLTWZBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-11-3-1-2-10(14(11)16)6-13-19-18-12-5-4-9(7-17)8-20(12)13/h1-5,8H,6H2.

What are the key properties of 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).