3-(difluoromethyl)-5-iodopyrimidin-4-one

C5H3F2IN2O — CID 66310336

IUPAC3-(difluoromethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1C(F)F
InChIInChI=1S/C5H3F2IN2O/c6-5(7)10-2-9-1-3(8)4(10)11/h1-2,5H
InChIKeyWOSTVWODPNVUAP-UHFFFAOYSA-N
MW271.99 g/mol
LogP1.24
Rot. Bonds1

About 3-(difluoromethyl)-5-iodopyrimidin-4-one

3-(difluoromethyl)-5-iodopyrimidin-4-one (PubChem CID 66310336) has the molecular formula C5H3F2IN2O and a molecular weight of 271.99 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodopyrimidin-4-one
PubChem CID66310336
Molecular FormulaC5H3F2IN2O
Molecular Weight271.99 g/mol
Exact Mass271.93
IUPAC Name3-(difluoromethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1C(F)F
InChIInChI=1S/C5H3F2IN2O/c6-5(7)10-2-9-1-3(8)4(10)11/h1-2,5H
InChIKeyWOSTVWODPNVUAP-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.99
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-5-iodopyrimidin-4-one (CID 66310336) is 3-(difluoromethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodopyrimidin-4-one?
The InChIKey is WOSTVWODPNVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2IN2O/c6-5(7)10-2-9-1-3(8)4(10)11/h1-2,5H.
What are the key properties of 3-(difluoromethyl)-5-iodopyrimidin-4-one?
3-(difluoromethyl)-5-iodopyrimidin-4-one has a molecular weight of 271.99 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66310336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).