3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde

C12H11FN2O3 — CID 171520975

IUPAC3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde
SMILESCCc1c(OC)c2cnc(C=O)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-3-6-11(18-2)7-4-14-8(5-16)9(13)10(7)15-12(6)17/h4-5H,3H2,1-2H3,(H,15,17)
InChIKeyPFGAHRZERSBTPR-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.45
Rot. Bonds3

About 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde

3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde (PubChem CID 171520975) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde
PubChem CID171520975
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde
SMILESCCc1c(OC)c2cnc(C=O)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-3-6-11(18-2)7-4-14-8(5-16)9(13)10(7)15-12(6)17/h4-5H,3H2,1-2H3,(H,15,17)
InChIKeyPFGAHRZERSBTPR-UHFFFAOYSA-N
XLogP1.45
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde?
The IUPAC name of 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde (CID 171520975) is 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde.
What is the SMILES notation for 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde?
The canonical SMILES for 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde is CCc1c(OC)c2cnc(C=O)c(F)c2[nH]c1=O.
What is the InChIKey of 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde?
The InChIKey is PFGAHRZERSBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-3-6-11(18-2)7-4-14-8(5-16)9(13)10(7)15-12(6)17/h4-5H,3H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde?
3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde has a molecular weight of 250.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-4-methoxy-2-oxo-1H-1,6-naphthyridine-7-carbaldehyde is sourced from PubChem (CID 171520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).