1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol

C8H8F2IN3O2 — CID 126485742

IUPAC1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol
SMILESOC1CN(c2cc(I)nc(OC(F)F)n2)C1
InChIInChI=1S/C8H8F2IN3O2/c9-7(10)16-8-12-5(11)1-6(13-8)14-2-4(15)3-14/h1,4,7,15H,2-3H2
InChIKeyPKPLCORPUAULHO-UHFFFAOYSA-N
MW343.07 g/mol
LogP0.86
Rot. Bonds3

About 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol

1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol (PubChem CID 126485742) has the molecular formula C8H8F2IN3O2 and a molecular weight of 343.07 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol
PubChem CID126485742
Molecular FormulaC8H8F2IN3O2
Molecular Weight343.07 g/mol
Exact Mass342.96
IUPAC Name1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol
SMILESOC1CN(c2cc(I)nc(OC(F)F)n2)C1
InChIInChI=1S/C8H8F2IN3O2/c9-7(10)16-8-12-5(11)1-6(13-8)14-2-4(15)3-14/h1,4,7,15H,2-3H2
InChIKeyPKPLCORPUAULHO-UHFFFAOYSA-N
XLogP0.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol (CID 126485742) is 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol is OC1CN(c2cc(I)nc(OC(F)F)n2)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol?
The InChIKey is PKPLCORPUAULHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2IN3O2/c9-7(10)16-8-12-5(11)1-6(13-8)14-2-4(15)3-14/h1,4,7,15H,2-3H2.
What are the key properties of 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol?
1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol has a molecular weight of 343.07 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-iodopyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 126485742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).