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

C12H9FN2O3 — CID 137450235

IUPACmethyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)10-3-2-4-15(11(10)16)9-5-8(13)6-14-7-9/h2-7H,1H3
InChIKeyVMRGOKWKFOOZFY-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.16
Rot. Bonds2

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

methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate (PubChem CID 137450235) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate
PubChem CID137450235
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Namemethyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)10-3-2-4-15(11(10)16)9-5-8(13)6-14-7-9/h2-7H,1H3
InChIKeyVMRGOKWKFOOZFY-UHFFFAOYSA-N
XLogP1.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
CID 137450794
methyl 1-(3-fluoro-4-phenylmethoxyphenyl)-2-oxopyridine-3-carboxylate
CID 145189134
methyl 1-(3-methoxypropoxy)-2-oxopyridine-3-carboxylate
CID 19039704
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081527
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
CID 170694441
methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
methyl 3-cyclopropyl-2-(5-fluoro-3-pyridinyl)benzimidazole-4-carboxylate
CID 121458681
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate (CID 137450235) is methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(-c2cncc(F)c2)c1=O.
What is the InChIKey of methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate?
The InChIKey is VMRGOKWKFOOZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-18-12(17)10-3-2-4-15(11(10)16)9-5-8(13)6-14-7-9/h2-7H,1H3.
What are the key properties of methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate?
methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-3-pyridinyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).