4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine

C10H6F2IN3O — CID 135246365

IUPAC4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine
SMILESFC(F)c1ccc(Oc2ncncc2I)cn1
InChIInChI=1S/C10H6F2IN3O/c11-9(12)8-2-1-6(3-15-8)17-10-7(13)4-14-5-16-10/h1-5,9H
InChIKeyITNKFTARWFUMFK-UHFFFAOYSA-N
MW349.08 g/mol
LogP3.21
Rot. Bonds3

About 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine

4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine (PubChem CID 135246365) has the molecular formula C10H6F2IN3O and a molecular weight of 349.08 g/mol. Its IUPAC name is 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine.

Molecular Properties

Compound Name4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine
PubChem CID135246365
Molecular FormulaC10H6F2IN3O
Molecular Weight349.08 g/mol
Exact Mass348.95
IUPAC Name4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine
SMILESFC(F)c1ccc(Oc2ncncc2I)cn1
InChIInChI=1S/C10H6F2IN3O/c11-9(12)8-2-1-6(3-15-8)17-10-7(13)4-14-5-16-10/h1-5,9H
InChIKeyITNKFTARWFUMFK-UHFFFAOYSA-N
XLogP3.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine?
The IUPAC name of 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine (CID 135246365) is 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine.
What is the SMILES notation for 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine?
The canonical SMILES for 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine is FC(F)c1ccc(Oc2ncncc2I)cn1.
What is the InChIKey of 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine?
The InChIKey is ITNKFTARWFUMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2IN3O/c11-9(12)8-2-1-6(3-15-8)17-10-7(13)4-14-5-16-10/h1-5,9H.
What are the key properties of 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine?
4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine has a molecular weight of 349.08 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(difluoromethyl)-3-pyridinyl]oxy]-5-iodopyrimidine is sourced from PubChem (CID 135246365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).