4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine

C5H3Cl2FN2O2S — CID 86616257

IUPAC4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H3Cl2FN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyKSSQDCUPRDVXFH-UHFFFAOYSA-N
MW245.06 g/mol
LogP1.33
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine

4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine (PubChem CID 86616257) has the molecular formula C5H3Cl2FN2O2S and a molecular weight of 245.06 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine
PubChem CID86616257
Molecular FormulaC5H3Cl2FN2O2S
Molecular Weight245.06 g/mol
Exact Mass243.93
IUPAC Name4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H3Cl2FN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyKSSQDCUPRDVXFH-UHFFFAOYSA-N
XLogP1.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine (CID 86616257) is 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine?
The InChIKey is KSSQDCUPRDVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2FN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine?
4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine has a molecular weight of 245.06 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-methylsulfonylpyrimidine is sourced from PubChem (CID 86616257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).