2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C15H12ClFN2O4 — CID 68832248

IUPAC2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)cc(=O)n2CCN1C(F)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN2O4/c16-9-3-1-2-8(6-9)14(17)19-5-4-18-11(21)7-10(20)13(22)12(18)15(19)23/h1-3,6-7,14,20,22H,4-5H2
InChIKeyVSIFWTVZEZIDDV-UHFFFAOYSA-N
MW338.72 g/mol
LogP2.04
Rot. Bonds2

About 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 68832248) has the molecular formula C15H12ClFN2O4 and a molecular weight of 338.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID68832248
Molecular FormulaC15H12ClFN2O4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC Name2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)cc(=O)n2CCN1C(F)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN2O4/c16-9-3-1-2-8(6-9)14(17)19-5-4-18-11(21)7-10(20)13(22)12(18)15(19)23/h1-3,6-7,14,20,22H,4-5H2
InChIKeyVSIFWTVZEZIDDV-UHFFFAOYSA-N
XLogP2.04
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 68832248) is 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is O=C1c2c(O)c(O)cc(=O)n2CCN1C(F)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is VSIFWTVZEZIDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4/c16-9-3-1-2-8(6-9)14(17)19-5-4-18-11(21)7-10(20)13(22)12(18)15(19)23/h1-3,6-7,14,20,22H,4-5H2.
What are the key properties of 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 338.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-fluoromethyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 68832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).