4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine

C8H3F2IN2O — CID 164652077

IUPAC4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
SMILESFc1nc(-c2ccco2)nc(F)c1I
InChIInChI=1S/C8H3F2IN2O/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-14-4/h1-3H
InChIKeyLCANQWGHMONFLJ-UHFFFAOYSA-N
MW308.03 g/mol
LogP2.62
Rot. Bonds1

About 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine

4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine (PubChem CID 164652077) has the molecular formula C8H3F2IN2O and a molecular weight of 308.03 g/mol. Its IUPAC name is 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
PubChem CID164652077
Molecular FormulaC8H3F2IN2O
Molecular Weight308.03 g/mol
Exact Mass307.93
IUPAC Name4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
SMILESFc1nc(-c2ccco2)nc(F)c1I
InChIInChI=1S/C8H3F2IN2O/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-14-4/h1-3H
InChIKeyLCANQWGHMONFLJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.03
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
CID 164652179
2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305905
2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
CID 12870888
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
CID 54258007
3-(furan-2-yl)-1,2,4-triazine
CID 11367075
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
2-(furan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 62190628
ethane;2-(furan-2-yl)furan
CID 161366084
2-(3-fluoro-5-iodophenyl)furan
CID 168524944
3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
CID 175630714

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine?
The IUPAC name of 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine (CID 164652077) is 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine?
The canonical SMILES for 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine is Fc1nc(-c2ccco2)nc(F)c1I.
What is the InChIKey of 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine?
The InChIKey is LCANQWGHMONFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IN2O/c9-6-5(11)7(10)13-8(12-6)4-2-1-3-14-4/h1-3H.
What are the key properties of 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine?
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine has a molecular weight of 308.03 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine is sourced from PubChem (CID 164652077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).