4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide

C7H6F2N2O2 — CID 118811925

IUPAC4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H6F2N2O2/c8-6(9)3-1-4(7(10)13)11-5(12)2-3/h1-2,6H,(H2,10,13)(H,11,12)
InChIKeyATKSDKKZXYMCFF-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.41
Rot. Bonds2

About 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide

4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118811925) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118811925
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H6F2N2O2/c8-6(9)3-1-4(7(10)13)11-5(12)2-3/h1-2,6H,(H2,10,13)(H,11,12)
InChIKeyATKSDKKZXYMCFF-UHFFFAOYSA-N
XLogP0.41
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
2,2,2-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019890
2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72046371
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-OL
CID 72216179
3-amino-6-bromo-5-(trifluoromethyl)pyridin-2(1H)-one
CID 122362456
6-methyl-3-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 123165121
3-amino-6-chloro-5-(difluoromethyl)-1H-pyridin-2-one
CID 130102489
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide (CID 118811925) is 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1cc(C(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ATKSDKKZXYMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-6(9)3-1-4(7(10)13)11-5(12)2-3/h1-2,6H,(H2,10,13)(H,11,12).
What are the key properties of 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 188.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).