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

C8H8F2N2O3 — CID 130104944

IUPACmethyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(11)12-7(13)5(3)6(9)10/h2,6H,1H3,(H3,11,12,13)
InChIKeyBPEBXXDLJSAJJG-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.68
Rot. Bonds2

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

methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 130104944) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
PubChem CID130104944
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namemethyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(11)12-7(13)5(3)6(9)10/h2,6H,1H3,(H3,11,12,13)
InChIKeyBPEBXXDLJSAJJG-UHFFFAOYSA-N
XLogP0.68
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130097202
ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 133103413
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
methyl 5-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carboxylate
CID 130082917
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
CID 130079678
methyl 3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130076967
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (CID 130104944) is methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(N)[nH]c(=O)c1C(F)F.
What is the InChIKey of methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is BPEBXXDLJSAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-8(14)3-2-4(11)12-7(13)5(3)6(9)10/h2,6H,1H3,(H3,11,12,13).
What are the key properties of methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 218.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 130104944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).