2-chloro-5-(trifluoromethylsulfonyl)pyrimidine

C5H2ClF3N2O2S — CID 170914160

IUPAC2-chloro-5-(trifluoromethylsulfonyl)pyrimidine
SMILESO=S(=O)(c1cnc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C5H2ClF3N2O2S/c6-4-10-1-3(2-11-4)14(12,13)5(7,8)9/h1-2H
InChIKeyDMLIOLHCUGXTLG-UHFFFAOYSA-N
MW246.60 g/mol
LogP1.42
Rot. Bonds1

About 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine

2-chloro-5-(trifluoromethylsulfonyl)pyrimidine (PubChem CID 170914160) has the molecular formula C5H2ClF3N2O2S and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethylsulfonyl)pyrimidine
PubChem CID170914160
Molecular FormulaC5H2ClF3N2O2S
Molecular Weight246.60 g/mol
Exact Mass245.95
IUPAC Name2-chloro-5-(trifluoromethylsulfonyl)pyrimidine
SMILESO=S(=O)(c1cnc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C5H2ClF3N2O2S/c6-4-10-1-3(2-11-4)14(12,13)5(7,8)9/h1-2H
InChIKeyDMLIOLHCUGXTLG-UHFFFAOYSA-N
XLogP1.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine?
The IUPAC name of 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine (CID 170914160) is 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine is O=S(=O)(c1cnc(Cl)nc1)C(F)(F)F.
What is the InChIKey of 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine?
The InChIKey is DMLIOLHCUGXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O2S/c6-4-10-1-3(2-11-4)14(12,13)5(7,8)9/h1-2H.
What are the key properties of 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine?
2-chloro-5-(trifluoromethylsulfonyl)pyrimidine has a molecular weight of 246.60 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethylsulfonyl)pyrimidine is sourced from PubChem (CID 170914160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).