methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate

C11H11FN2O4 — CID 164678788

IUPACmethyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)N(C)c2nc(OC)ccc21
InChIInChI=1S/C11H11FN2O4/c1-14-8-6(4-5-7(13-8)17-2)11(12,9(14)15)10(16)18-3/h4-5H,1-3H3
InChIKeyJWBVWSLLNPCKLL-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.40
Rot. Bonds2

About methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate

methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 164678788) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID164678788
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)N(C)c2nc(OC)ccc21
InChIInChI=1S/C11H11FN2O4/c1-14-8-6(4-5-7(13-8)17-2)11(12,9(14)15)10(16)18-3/h4-5H,1-3H3
InChIKeyJWBVWSLLNPCKLL-UHFFFAOYSA-N
XLogP0.40
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate
CID 164679141
4-Fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 76847817
(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 132323675
6-methoxy-1-(2,2,2-trifluoroacetyl)-1H,2H,3H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 165921307
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-6-methoxy-1,3,3-trimethyl-
CID 21931654
6-methoxy-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
CID 58398947
1-cyclobutyl-6-methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 66734443
1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66734444
2h-Pyrrolo[2,3-b]pyridin-2-one,1,3-dihydro-6-methoxy-1-phenyl-
CID 66922119
(2-Oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate
CID 175286478
1-(4-Iodo-6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone
CID 176375304
6-Methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 72211818

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate (CID 164678788) is methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)C1(F)C(=O)N(C)c2nc(OC)ccc21.
What is the InChIKey of methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is JWBVWSLLNPCKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-14-8-6(4-5-7(13-8)17-2)11(12,9(14)15)10(16)18-3/h4-5H,1-3H3.
What are the key properties of methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 254.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 164678788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).