2-chloro-5-(difluoromethylsulfanyl)pyrimidine

C5H3ClF2N2S — CID 175669841

IUPAC2-chloro-5-(difluoromethylsulfanyl)pyrimidine
SMILESFC(F)Sc1cnc(Cl)nc1
InChIInChI=1S/C5H3ClF2N2S/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H
InChIKeyMCRQCISZFMUNED-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.44
Rot. Bonds2

About 2-chloro-5-(difluoromethylsulfanyl)pyrimidine

2-chloro-5-(difluoromethylsulfanyl)pyrimidine (PubChem CID 175669841) has the molecular formula C5H3ClF2N2S and a molecular weight of 196.61 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethylsulfanyl)pyrimidine
PubChem CID175669841
Molecular FormulaC5H3ClF2N2S
Molecular Weight196.61 g/mol
Exact Mass195.97
IUPAC Name2-chloro-5-(difluoromethylsulfanyl)pyrimidine
SMILESFC(F)Sc1cnc(Cl)nc1
InChIInChI=1S/C5H3ClF2N2S/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H
InChIKeyMCRQCISZFMUNED-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-(difluoromethylsulfanyl)pyrimidine (CID 175669841) is 2-chloro-5-(difluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(difluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(difluoromethylsulfanyl)pyrimidine is FC(F)Sc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(difluoromethylsulfanyl)pyrimidine?
The InChIKey is MCRQCISZFMUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2S/c6-4-9-1-3(2-10-4)11-5(7)8/h1-2,5H.
What are the key properties of 2-chloro-5-(difluoromethylsulfanyl)pyrimidine?
2-chloro-5-(difluoromethylsulfanyl)pyrimidine has a molecular weight of 196.61 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 175669841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).