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

C7H6F2INO2 — CID 118803664

IUPAC6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1cc(CO)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO2/c8-7(9)6-5(10)3(2-12)1-4(13)11-6/h1,7,12H,2H2,(H,11,13)
InChIKeyPIFQGPPOLJMOBX-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.41
Rot. Bonds2

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

6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one (PubChem CID 118803664) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
PubChem CID118803664
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1cc(CO)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO2/c8-7(9)6-5(10)3(2-12)1-4(13)11-6/h1,7,12H,2H2,(H,11,13)
InChIKeyPIFQGPPOLJMOBX-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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one (CID 118803664) is 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one is O=c1cc(CO)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one?
The InChIKey is PIFQGPPOLJMOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c8-7(9)6-5(10)3(2-12)1-4(13)11-6/h1,7,12H,2H2,(H,11,13).
What are the key properties of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one?
6-(difluoromethyl)-4-(hydroxymethyl)-5-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 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118803664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).