2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal

C11H10FN3O3 — CID 86724951

IUPAC2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal
SMILESCOc1ccc2ncc(=O)n(CC(F)C=O)c2n1
InChIInChI=1S/C11H10FN3O3/c1-18-9-3-2-8-11(14-9)15(5-7(12)6-16)10(17)4-13-8/h2-4,6-7H,5H2,1H3
InChIKeyWHTIAUBKEHFEKU-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.34
Rot. Bonds4

About 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal

2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal (PubChem CID 86724951) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal.

Molecular Properties

Compound Name2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal
PubChem CID86724951
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal
SMILESCOc1ccc2ncc(=O)n(CC(F)C=O)c2n1
InChIInChI=1S/C11H10FN3O3/c1-18-9-3-2-8-11(14-9)15(5-7(12)6-16)10(17)4-13-8/h2-4,6-7H,5H2,1H3
InChIKeyWHTIAUBKEHFEKU-UHFFFAOYSA-N
XLogP0.34
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal?
The IUPAC name of 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal (CID 86724951) is 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal.
What is the SMILES notation for 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal?
The canonical SMILES for 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal is COc1ccc2ncc(=O)n(CC(F)C=O)c2n1.
What is the InChIKey of 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal?
The InChIKey is WHTIAUBKEHFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-18-9-3-2-8-11(14-9)15(5-7(12)6-16)10(17)4-13-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal?
2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal has a molecular weight of 251.22 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propanal is sourced from PubChem (CID 86724951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).