4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one

C12H8FIN2O3 — CID 58259913

IUPAC4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one
SMILESO=c1cc(Cc2ccc(I)cc2F)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C12H8FIN2O3/c13-10-5-9(14)2-1-7(10)3-8-4-12(17)15-6-11(8)16(18)19/h1-2,4-6H,3H2,(H,15,17)
InChIKeyQYQWJHXSSFILPU-UHFFFAOYSA-N
MW374.11 g/mol
LogP2.62
Rot. Bonds3

About 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one

4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one (PubChem CID 58259913) has the molecular formula C12H8FIN2O3 and a molecular weight of 374.11 g/mol. Its IUPAC name is 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one
PubChem CID58259913
Molecular FormulaC12H8FIN2O3
Molecular Weight374.11 g/mol
Exact Mass373.96
IUPAC Name4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one
SMILESO=c1cc(Cc2ccc(I)cc2F)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C12H8FIN2O3/c13-10-5-9(14)2-1-7(10)3-8-4-12(17)15-6-11(8)16(18)19/h1-2,4-6H,3H2,(H,15,17)
InChIKeyQYQWJHXSSFILPU-UHFFFAOYSA-N
XLogP2.62
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one?
The IUPAC name of 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one (CID 58259913) is 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one is O=c1cc(Cc2ccc(I)cc2F)c([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one?
The InChIKey is QYQWJHXSSFILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O3/c13-10-5-9(14)2-1-7(10)3-8-4-12(17)15-6-11(8)16(18)19/h1-2,4-6H,3H2,(H,15,17).
What are the key properties of 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one?
4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one has a molecular weight of 374.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-iodophenyl)methyl]-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 58259913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).