6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one

C9H11FN2O2 — CID 129165359

IUPAC6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one
SMILESCOc1c(F)n2c(cc1=O)CNCC2
InChIInChI=1S/C9H11FN2O2/c1-14-8-7(13)4-6-5-11-2-3-12(6)9(8)10/h4,11H,2-3,5H2,1H3
InChIKeyNMVXLFQRBWGPHU-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.10
Rot. Bonds1

About 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one

6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one (PubChem CID 129165359) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one
PubChem CID129165359
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one
SMILESCOc1c(F)n2c(cc1=O)CNCC2
InChIInChI=1S/C9H11FN2O2/c1-14-8-7(13)4-6-5-11-2-3-12(6)9(8)10/h4,11H,2-3,5H2,1H3
InChIKeyNMVXLFQRBWGPHU-UHFFFAOYSA-N
XLogP0.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one (CID 129165359) is 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one is COc1c(F)n2c(cc1=O)CNCC2.
What is the InChIKey of 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one?
The InChIKey is NMVXLFQRBWGPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-14-8-7(13)4-6-5-11-2-3-12(6)9(8)10/h4,11H,2-3,5H2,1H3.
What are the key properties of 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one?
6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one has a molecular weight of 198.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).