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

C6H3F2IN2O3 — CID 130082573

IUPAC5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
SMILESO=c1cc([N+](=O)[O-])c(C(F)F)c(I)[nH]1
InChIInChI=1S/C6H3F2IN2O3/c7-5(8)4-2(11(13)14)1-3(12)10-6(4)9/h1,5H,(H,10,12)
InChIKeyLKGAFCUQDNYNSC-UHFFFAOYSA-N
MW316.00 g/mol
LogP1.83
Rot. Bonds2

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

5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one (PubChem CID 130082573) has the molecular formula C6H3F2IN2O3 and a molecular weight of 316.00 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
PubChem CID130082573
Molecular FormulaC6H3F2IN2O3
Molecular Weight316.00 g/mol
Exact Mass315.92
IUPAC Name5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
SMILESO=c1cc([N+](=O)[O-])c(C(F)F)c(I)[nH]1
InChIInChI=1S/C6H3F2IN2O3/c7-5(8)4-2(11(13)14)1-3(12)10-6(4)9/h1,5H,(H,10,12)
InChIKeyLKGAFCUQDNYNSC-UHFFFAOYSA-N
XLogP1.83
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
CID 130100117
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
4-(difluoromethyl)-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969530
4-(chloromethyl)-5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130084323
4-(difluoromethyl)-2-iodo-1-nitrobenzene
CID 118823927
2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082
5-bromo-2-(difluoromethyl)-1-fluoro-3-nitrobenzene
CID 118816368
1-bromo-2-(difluoromethyl)-5-fluoro-3-nitrobenzene
CID 119024136
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one (CID 130082573) is 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one is O=c1cc([N+](=O)[O-])c(C(F)F)c(I)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one?
The InChIKey is LKGAFCUQDNYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IN2O3/c7-5(8)4-2(11(13)14)1-3(12)10-6(4)9/h1,5H,(H,10,12).
What are the key properties of 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one?
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one has a molecular weight of 316.00 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).