5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one

C7H6F2N2O3 — CID 130083640

IUPAC5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6F2N2O3/c1-3-6(7(8)9)4(11(13)14)2-5(12)10-3/h2,7H,1H3,(H,10,12)
InChIKeyAYGFMLFQUAMEGF-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.53
Rot. Bonds2

About 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one

5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one (PubChem CID 130083640) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
PubChem CID130083640
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6F2N2O3/c1-3-6(7(8)9)4(11(13)14)2-5(12)10-3/h2,7H,1H3,(H,10,12)
InChIKeyAYGFMLFQUAMEGF-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'}

Analyze 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
CID 130082573
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
5-(difluoromethyl)-4-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 130083894
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
CID 130100117
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
4-(chloromethyl)-5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130084323

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one (CID 130083640) is 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one is Cc1[nH]c(=O)cc([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one?
The InChIKey is AYGFMLFQUAMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-3-6(7(8)9)4(11(13)14)2-5(12)10-3/h2,7H,1H3,(H,10,12).
What are the key properties of 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one?
5-(difluoromethyl)-6-methyl-4-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 5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).