6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one

C7H6F2INO2 — CID 118809443

IUPAC6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(I)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6F2INO2/c1-13-4-2-3(10)5(6(8)9)11-7(4)12/h2,6H,1H3,(H,11,12)
InChIKeyROXDTQDWKZHPKD-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.93
Rot. Bonds2

About 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one

6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one (PubChem CID 118809443) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one
PubChem CID118809443
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(I)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H6F2INO2/c1-13-4-2-3(10)5(6(8)9)11-7(4)12/h2,6H,1H3,(H,11,12)
InChIKeyROXDTQDWKZHPKD-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one (CID 118809443) is 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one is COc1cc(I)c(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one?
The InChIKey is ROXDTQDWKZHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c1-13-4-2-3(10)5(6(8)9)11-7(4)12/h2,6H,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one?
6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one has a molecular weight of 301.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118809443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).