methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate

C8H7F2NO3 — CID 130097203

IUPACmethyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c1-14-8(13)5-3-2-4(6(9)10)7(12)11-5/h2-3,6H,1H3,(H,11,12)
InChIKeyHGVKREFCNWGRSX-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.10
Rot. Bonds2

About methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate

methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 130097203) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
PubChem CID130097203
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Namemethyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c1-14-8(13)5-3-2-4(6(9)10)7(12)11-5/h2-3,6H,1H3,(H,11,12)
InChIKeyHGVKREFCNWGRSX-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 5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084961
methyl 6-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-carboxylate
CID 133091429
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106315
methyl 6-(difluoromethyl)-2,3-difluorobenzoate
CID 134648361
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 5-(2-methoxy-2-oxoacetyl)-1H-pyrrole-2-carboxylate
CID 44718745
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 130100268
methyl 5-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carboxylate
CID 130082917
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate (CID 130097203) is methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate is COC(=O)c1ccc(C(F)F)c(=O)[nH]1.
What is the InChIKey of methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is HGVKREFCNWGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-8(13)5-3-2-4(6(9)10)7(12)11-5/h2-3,6H,1H3,(H,11,12).
What are the key properties of methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate?
methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-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 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 130097203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).