methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate

C10H9F2NO3 — CID 170948522

IUPACmethyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(=O)n(C(F)F)c1
InChIInChI=1S/C10H9F2NO3/c1-3-6-4-7(9(15)16-2)8(14)13(5-6)10(11)12/h3-5,10H,1H2,2H3
InChIKeyGGPDVMHFMCWQIF-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.67
Rot. Bonds3

About methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate

methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate (PubChem CID 170948522) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate
PubChem CID170948522
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Namemethyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(=O)n(C(F)F)c1
InChIInChI=1S/C10H9F2NO3/c1-3-6-4-7(9(15)16-2)8(14)13(5-6)10(11)12/h3-5,10H,1H2,2H3
InChIKeyGGPDVMHFMCWQIF-UHFFFAOYSA-N
XLogP1.67
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate (CID 170948522) is methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate is C=Cc1cc(C(=O)OC)c(=O)n(C(F)F)c1.
What is the InChIKey of methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate?
The InChIKey is GGPDVMHFMCWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-3-6-4-7(9(15)16-2)8(14)13(5-6)10(11)12/h3-5,10H,1H2,2H3.
What are the key properties of methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate?
methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate has a molecular weight of 229.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 170948522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).