7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one

C13H14FN3O5 — CID 123820679

About 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 123820679) has the molecular formula C13H14FN3O5 and a molecular weight of 311.27 g/mol. Its IUPAC name is 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 123820679
• Molecular Formula: C13H14FN3O5
• Molecular Weight: 311.27 g/mol
• Exact Mass: 311.09
• IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one
• SMILES: Cc1nc2[nH]c(=O)c(C3OC(CO)C(O)C3O)cc2nc1F
• InChI: InChI=1S/C13H14FN3O5/c1-4-11(14)16-6-2-5(13(21)17-12(6)15-4)10-9(20)8(19)7(3-18)22-10/h2,7-10,18-20H,3H2,1H3,(H,15,17,21)
• InChIKey: MTIVVLQVTUOUJX-UHFFFAOYSA-N
• XLogP: -1.08
• TPSA: 128.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.27
LogP ≤ 5	-1.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 123820679) is 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1nc2[nH]c(=O)c(C3OC(CO)C(O)C3O)cc2nc1F.

What is the InChIKey of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one?

The InChIKey is MTIVVLQVTUOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O5/c1-4-11(14)16-6-2-5(13(21)17-12(6)15-4)10-9(20)8(19)7(3-18)22-10/h2,7-10,18-20H,3H2,1H3,(H,15,17,21).

What are the key properties of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one?

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 311.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 123820679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).