methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate

C8H7F2NO3 — CID 101402249

IUPACmethyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C8H7F2NO3/c1-14-7(13)5-2-3-11(8(9)10)6(12)4-5/h2-4,8H,1H3
InChIKeyNUBJNRRPDIFIQO-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.03
Rot. Bonds2

About methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate

methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate (PubChem CID 101402249) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate
PubChem CID101402249
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Namemethyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C8H7F2NO3/c1-14-7(13)5-2-3-11(8(9)10)6(12)4-5/h2-4,8H,1H3
InChIKeyNUBJNRRPDIFIQO-UHFFFAOYSA-N
XLogP1.03
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate (CID 101402249) is methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(C(F)F)c(=O)c1.
What is the InChIKey of methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate?
The InChIKey is NUBJNRRPDIFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-7(13)5-2-3-11(8(9)10)6(12)4-5/h2-4,8H,1H3.
What are the key properties of methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate?
methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate has a molecular weight of 203.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(difluoromethyl)-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 101402249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).