4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide

C8H8F2N2O3 — CID 118845709

IUPAC4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1c(C(F)F)c(C(N)=O)c[nH]c1=O
InChIInChI=1S/C8H8F2N2O3/c1-15-5-4(6(9)10)3(7(11)13)2-12-8(5)14/h2,6H,1H3,(H2,11,13)(H,12,14)
InChIKeyXENRXNKXXLMGRK-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.42
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide

4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118845709) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118845709
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1c(C(F)F)c(C(N)=O)c[nH]c1=O
InChIInChI=1S/C8H8F2N2O3/c1-15-5-4(6(9)10)3(7(11)13)2-12-8(5)14/h2,6H,1H3,(H2,11,13)(H,12,14)
InChIKeyXENRXNKXXLMGRK-UHFFFAOYSA-N
XLogP0.42
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide (CID 118845709) is 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide is COc1c(C(F)F)c(C(N)=O)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XENRXNKXXLMGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-5-4(6(9)10)3(7(11)13)2-12-8(5)14/h2,6H,1H3,(H2,11,13)(H,12,14).
What are the key properties of 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide?
4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 218.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118845709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).