2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine

C9H6ClF3N4 — CID 118953813

IUPAC2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine
SMILESFC(F)(F)Cn1cncc1-c1ccnc(Cl)n1
InChIInChI=1S/C9H6ClF3N4/c10-8-15-2-1-6(16-8)7-3-14-5-17(7)4-9(11,12)13/h1-3,5H,4H2
InChIKeyHEKPKEPQKQCUNG-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine

2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine (PubChem CID 118953813) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine
PubChem CID118953813
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine
SMILESFC(F)(F)Cn1cncc1-c1ccnc(Cl)n1
InChIInChI=1S/C9H6ClF3N4/c10-8-15-2-1-6(16-8)7-3-14-5-17(7)4-9(11,12)13/h1-3,5H,4H2
InChIKeyHEKPKEPQKQCUNG-UHFFFAOYSA-N
XLogP2.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine (CID 118953813) is 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine is FC(F)(F)Cn1cncc1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine?
The InChIKey is HEKPKEPQKQCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c10-8-15-2-1-6(16-8)7-3-14-5-17(7)4-9(11,12)13/h1-3,5H,4H2.
What are the key properties of 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine?
2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine has a molecular weight of 262.62 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine is sourced from PubChem (CID 118953813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).