6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid

C19H13F4N3O2 — CID 59399067

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid

6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 59399067) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid
• PubChem CID: 59399067
• Molecular Formula: C19H13F4N3O2
• Molecular Weight: 391.32 g/mol
• Exact Mass: 391.09
• IUPAC Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid
• SMILES: CC(C)(c1nc(C(=O)O)ccc1F)c1nc(-c2ccc(F)nc2F)ccc1F
• InChI: InChI=1S/C19H13F4N3O2/c1-19(2,16-11(21)5-7-13(25-16)18(27)28)15-10(20)4-6-12(24-15)9-3-8-14(22)26-17(9)23/h3-8H,1-2H3,(H,27,28)
• InChIKey: PXLHVWFRABOJHE-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 75.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.32
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid?

The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid (CID 59399067) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid.

What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid?

The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid is CC(C)(c1nc(C(=O)O)ccc1F)c1nc(-c2ccc(F)nc2F)ccc1F.

What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid?

The InChIKey is PXLHVWFRABOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c1-19(2,16-11(21)5-7-13(25-16)18(27)28)15-10(20)4-6-12(24-15)9-3-8-14(22)26-17(9)23/h3-8H,1-2H3,(H,27,28).

What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid?

6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 391.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 59399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).