methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen

C17H15F4NO5 — CID 163553392

About methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen

methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen (PubChem CID 163553392) has the molecular formula C17H15F4NO5 and a molecular weight of 389.30 g/mol. Its IUPAC name is methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen
• PubChem CID: 163553392
• Molecular Formula: C17H15F4NO5
• Molecular Weight: 389.30 g/mol
• Exact Mass: 389.09
• IUPAC Name: methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen
• SMILES: COC(=O)C1=C(CF)NC2=C(C(=O)OC2)[C@H]1c1cccc(F)c1OC(F)F.[H][H]
• InChI: InChI=1S/C17H13F4NO5.H2/c1-25-15(23)12-9(5-18)22-10-6-26-16(24)13(10)11(12)7-3-2-4-8(19)14(7)27-17(20)21;/h2-4,11,17,22H,5-6H2,1H3;1H/t11-;/m0./s1
• InChIKey: FKZJIOIALUZSSI-MERQFXBCSA-N
• XLogP: 2.57
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.30
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen?

The IUPAC name of methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen (CID 163553392) is methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen.

What is the SMILES notation for methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen?

The canonical SMILES for methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen is COC(=O)C1=C(CF)NC2=C(C(=O)OC2)[C@H]1c1cccc(F)c1OC(F)F.[H][H].

What is the InChIKey of methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen?

The InChIKey is FKZJIOIALUZSSI-MERQFXBCSA-N. The full InChI is InChI=1S/C17H13F4NO5.H2/c1-25-15(23)12-9(5-18)22-10-6-26-16(24)13(10)11(12)7-3-2-4-8(19)14(7)27-17(20)21;/h2-4,11,17,22H,5-6H2,1H3;1H/t11-;/m0./s1.

What are the key properties of methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen?

methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen has a molecular weight of 389.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 163553392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).