methyl 5-fluoro-2-oxoindole-3-carboxylate

C10H6FNO3 — CID 141367719

IUPACmethyl 5-fluoro-2-oxoindole-3-carboxylate
SMILESCOC(=O)C1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C10H6FNO3/c1-15-10(14)8-6-4-5(11)2-3-7(6)12-9(8)13/h2-4H,1H3
InChIKeyAMFFZWCBNMDDOG-UHFFFAOYSA-N
MW207.16 g/mol
LogP-0.69
Rot. Bonds1

About methyl 5-fluoro-2-oxoindole-3-carboxylate

methyl 5-fluoro-2-oxoindole-3-carboxylate (PubChem CID 141367719) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is methyl 5-fluoro-2-oxoindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-oxoindole-3-carboxylate
PubChem CID141367719
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Namemethyl 5-fluoro-2-oxoindole-3-carboxylate
SMILESCOC(=O)C1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C10H6FNO3/c1-15-10(14)8-6-4-5(11)2-3-7(6)12-9(8)13/h2-4H,1H3
InChIKeyAMFFZWCBNMDDOG-UHFFFAOYSA-N
XLogP-0.69
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-oxoindole-6-carboxylate
CID 53400341
Ethyl 6,6-difluoro-2-oxoquinoline-3-carboxylate
CID 149789220
Methyl 2-oxoindole-5-carboxylate
CID 46739851
Tert-butyl 2-oxoindole-3-carboxylate
CID 150551101
methyl 2H-indole-3-carboxylate
CID 97050422
methyl 5-methyl-2H-indole-3-carboxylate
CID 97050496
methyl 2-oxo-8H-quinoline-3-carboxylate
CID 158584932

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-oxoindole-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2-oxoindole-3-carboxylate (CID 141367719) is methyl 5-fluoro-2-oxoindole-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-oxoindole-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-oxoindole-3-carboxylate is COC(=O)C1=c2cc(F)ccc2=NC1=O.
What is the InChIKey of methyl 5-fluoro-2-oxoindole-3-carboxylate?
The InChIKey is AMFFZWCBNMDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c1-15-10(14)8-6-4-5(11)2-3-7(6)12-9(8)13/h2-4H,1H3.
What are the key properties of methyl 5-fluoro-2-oxoindole-3-carboxylate?
methyl 5-fluoro-2-oxoindole-3-carboxylate has a molecular weight of 207.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-oxoindole-3-carboxylate is sourced from PubChem (CID 141367719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).