methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate

C8H6F3NO3 — CID 130079678

IUPACmethyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(C(F)F)c1F
InChIInChI=1S/C8H6F3NO3/c1-15-8(14)3-2-4(13)12-6(5(3)9)7(10)11/h2,7H,1H3,(H,12,13)
InChIKeyQJQPVJVACXEPHC-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate

methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 130079678) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
PubChem CID130079678
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Namemethyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(C(F)F)c1F
InChIInChI=1S/C8H6F3NO3/c1-15-8(14)3-2-4(13)12-6(5(3)9)7(10)11/h2,7H,1H3,(H,12,13)
InChIKeyQJQPVJVACXEPHC-UHFFFAOYSA-N
XLogP1.24
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
methyl 6-bromo-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110469
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110472
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
methyl 6-chloro-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130072717
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate (CID 130079678) is methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(=O)[nH]c(C(F)F)c1F.
What is the InChIKey of methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is QJQPVJVACXEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-8(14)3-2-4(13)12-6(5(3)9)7(10)11/h2,7H,1H3,(H,12,13).
What are the key properties of methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate?
methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 221.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 130079678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).