methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate

C13H11FN2O4 — CID 137450794

IUPACmethyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2ncc(OC)cc2F)c1=O
InChIInChI=1S/C13H11FN2O4/c1-19-8-6-10(14)11(15-7-8)16-5-3-4-9(12(16)17)13(18)20-2/h3-7H,1-2H3
InChIKeyRYBCNESLXWHYHJ-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate

methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate (PubChem CID 137450794) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
PubChem CID137450794
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Namemethyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2ncc(OC)cc2F)c1=O
InChIInChI=1S/C13H11FN2O4/c1-19-8-6-10(14)11(15-7-8)16-5-3-4-9(12(16)17)13(18)20-2/h3-7H,1-2H3
InChIKeyRYBCNESLXWHYHJ-UHFFFAOYSA-N
XLogP1.17
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate
CID 137450235
methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
CID 145189134
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate
CID 171490626
methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
CID 19039704
methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate
CID 169002932
methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate
CID 69084109
methyl 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 139383864
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate (CID 137450794) is methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(-c2ncc(OC)cc2F)c1=O.
What is the InChIKey of methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate?
The InChIKey is RYBCNESLXWHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-19-8-6-10(14)11(15-7-8)16-5-3-4-9(12(16)17)13(18)20-2/h3-7H,1-2H3.
What are the key properties of methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate?
methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate has a molecular weight of 278.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).