4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one

C7H6F2N2O3 — CID 118812631

IUPAC4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
SMILESCc1c(C(F)F)c([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c1-3-5(6(8)9)4(11(13)14)2-10-7(3)12/h2,6H,1H3,(H,10,12)
InChIKeyYJVNAMBTFYXADL-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.53
Rot. Bonds2

About 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one

4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one (PubChem CID 118812631) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
PubChem CID118812631
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
SMILESCc1c(C(F)F)c([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c1-3-5(6(8)9)4(11(13)14)2-10-7(3)12/h2,6H,1H3,(H,10,12)
InChIKeyYJVNAMBTFYXADL-UHFFFAOYSA-N
XLogP1.53
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
CID 130101153
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
CID 118823181
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133102926
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one (CID 118812631) is 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one is Cc1c(C(F)F)c([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one?
The InChIKey is YJVNAMBTFYXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-3-5(6(8)9)4(11(13)14)2-10-7(3)12/h2,6H,1H3,(H,10,12).
What are the key properties of 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one?
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one has a molecular weight of 204.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 118812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).