4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine

C10H5F2IN2S — CID 66320757

IUPAC4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine
SMILESFc1ccc(Sc2ncncc2I)c(F)c1
InChIInChI=1S/C10H5F2IN2S/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H
InChIKeyIZUHXBZIUSIDIE-UHFFFAOYSA-N
MW350.13 g/mol
LogP3.51
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine

4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine (PubChem CID 66320757) has the molecular formula C10H5F2IN2S and a molecular weight of 350.13 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine
PubChem CID66320757
Molecular FormulaC10H5F2IN2S
Molecular Weight350.13 g/mol
Exact Mass349.92
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine
SMILESFc1ccc(Sc2ncncc2I)c(F)c1
InChIInChI=1S/C10H5F2IN2S/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H
InChIKeyIZUHXBZIUSIDIE-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 53.51
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-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
CID 66318492
4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
CID 114791080
4-bromo-2-(5-iodopyrimidin-4-yl)sulfanylbenzoic acid
CID 115382258
5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
CID 66319398
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
CID 66320758
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80650709
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123417
[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514770

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine (CID 66320757) is 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine is Fc1ccc(Sc2ncncc2I)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine?
The InChIKey is IZUHXBZIUSIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2IN2S/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine?
4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine has a molecular weight of 350.13 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine is sourced from PubChem (CID 66320757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).