2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal

C12H11FN2O3 — CID 90261951

IUPAC2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal
SMILESCOc1ccc2ccc(=O)n(CC(F)C=O)c2n1
InChIInChI=1S/C12H11FN2O3/c1-18-10-4-2-8-3-5-11(17)15(12(8)14-10)6-9(13)7-16/h2-5,7,9H,6H2,1H3
InChIKeyVYRBGSBJSVKVBP-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.94
Rot. Bonds4

About 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal

2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal (PubChem CID 90261951) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal.

Molecular Properties

Compound Name2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal
PubChem CID90261951
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal
SMILESCOc1ccc2ccc(=O)n(CC(F)C=O)c2n1
InChIInChI=1S/C12H11FN2O3/c1-18-10-4-2-8-3-5-11(17)15(12(8)14-10)6-9(13)7-16/h2-5,7,9H,6H2,1H3
InChIKeyVYRBGSBJSVKVBP-UHFFFAOYSA-N
XLogP0.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal?
The IUPAC name of 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal (CID 90261951) is 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal.
What is the SMILES notation for 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal?
The canonical SMILES for 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal is COc1ccc2ccc(=O)n(CC(F)C=O)c2n1.
What is the InChIKey of 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal?
The InChIKey is VYRBGSBJSVKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-10-4-2-8-3-5-11(17)15(12(8)14-10)6-9(13)7-16/h2-5,7,9H,6H2,1H3.
What are the key properties of 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal?
2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal has a molecular weight of 250.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal is sourced from PubChem (CID 90261951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).