methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate

C12H11FN2O3 — CID 171486292

IUPACmethyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate
SMILESCCc1cc2cnc(C(=O)OC)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-3-6-4-7-5-14-10(12(17)18-2)8(13)9(7)15-11(6)16/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyVDOISBXWODKHGD-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.41
Rot. Bonds2

About methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate

methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate (PubChem CID 171486292) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate
PubChem CID171486292
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate
SMILESCCc1cc2cnc(C(=O)OC)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11FN2O3/c1-3-6-4-7-5-14-10(12(17)18-2)8(13)9(7)15-11(6)16/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyVDOISBXWODKHGD-UHFFFAOYSA-N
XLogP1.41
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate (CID 171486292) is methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate is CCc1cc2cnc(C(=O)OC)c(F)c2[nH]c1=O.
What is the InChIKey of methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate?
The InChIKey is VDOISBXWODKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-3-6-4-7-5-14-10(12(17)18-2)8(13)9(7)15-11(6)16/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate?
methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 171486292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).