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

C8H7F2NO3 — CID 130097202

IUPACmethyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-8(13)4-2-3-11-7(12)5(4)6(9)10/h2-3,6H,1H3,(H,11,12)
InChIKeyBFEBLZBUVCARBD-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.10
Rot. Bonds2

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

methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 130097202) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
PubChem CID130097202
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Namemethyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-8(13)4-2-3-11-7(12)5(4)6(9)10/h2-3,6H,1H3,(H,11,12)
InChIKeyBFEBLZBUVCARBD-UHFFFAOYSA-N
XLogP1.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093220
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956
methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
CID 133092068
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 8-oxo-7H-2,7-naphthyridine-4-carboxylate
CID 66523140
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218107
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
methyl 4-cyano-2-(difluoromethyl)-3-methylbenzoate
CID 134646983

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (CID 130097202) is methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc[nH]c(=O)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is BFEBLZBUVCARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-8(13)4-2-3-11-7(12)5(4)6(9)10/h2-3,6H,1H3,(H,11,12).
What are the key properties of methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 203.14 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 130097202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).