2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one

C6H3F2IN2O3 — CID 118803464

IUPAC2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H3F2IN2O3/c7-6(8)4-5(11(13)14)2(12)1-3(9)10-4/h1,6H,(H,10,12)
InChIKeyQVMTZQSZQAAVOX-UHFFFAOYSA-N
MW316.00 g/mol
LogP1.83
Rot. Bonds2

About 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one

2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one (PubChem CID 118803464) has the molecular formula C6H3F2IN2O3 and a molecular weight of 316.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
PubChem CID118803464
Molecular FormulaC6H3F2IN2O3
Molecular Weight316.00 g/mol
Exact Mass315.92
IUPAC Name2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H3F2IN2O3/c7-6(8)4-5(11(13)14)2(12)1-3(9)10-4/h1,6H,(H,10,12)
InChIKeyQVMTZQSZQAAVOX-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

6-(aminomethyl)-2-(difluoromethyl)-3-nitro-1H-pyridin-4-one
CID 130084199
ethyl 6-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-2-carboxylate
CID 133103099
2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
CID 118826057
6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118837677
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
CID 130082573
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
3-(bromomethyl)-2-(difluoromethyl)-6-nitro-1H-pyridin-4-one
CID 130084252
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one (CID 118803464) is 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one is O=c1cc(I)[nH]c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one?
The InChIKey is QVMTZQSZQAAVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IN2O3/c7-6(8)4-5(11(13)14)2(12)1-3(9)10-4/h1,6H,(H,10,12).
What are the key properties of 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one?
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-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 2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one is sourced from PubChem (CID 118803464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).