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

C7H6F2INO2 — CID 118806011

IUPAC4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(I)[nH]1
InChIInChI=1S/C7H6F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H,11,13)
InChIKeyPWLMDSHJGVMIMR-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.41
Rot. Bonds2

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

4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one (PubChem CID 118806011) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one
PubChem CID118806011
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(I)[nH]1
InChIInChI=1S/C7H6F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H,11,13)
InChIKeyPWLMDSHJGVMIMR-UHFFFAOYSA-N
XLogP1.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one (CID 118806011) is 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one is O=c1cc(C(F)F)c(CO)c(I)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one?
The InChIKey is PWLMDSHJGVMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1,6,12H,2H2,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one?
4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one has a molecular weight of 301.03 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(hydroxymethyl)-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118806011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).