3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C7H3BrF3N3 — CID 118094604

IUPAC3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1nc2ncccn2c1Br
InChIInChI=1S/C7H3BrF3N3/c8-5-4(7(9,10)11)13-6-12-2-1-3-14(5)6/h1-3H
InChIKeyBXANBMLQWQHMLC-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.51
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 118094604) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID118094604
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1nc2ncccn2c1Br
InChIInChI=1S/C7H3BrF3N3/c8-5-4(7(9,10)11)13-6-12-2-1-3-14(5)6/h1-3H
InChIKeyBXANBMLQWQHMLC-UHFFFAOYSA-N
XLogP2.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 118094604) is 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1nc2ncccn2c1Br.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BXANBMLQWQHMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-5-4(7(9,10)11)13-6-12-2-1-3-14(5)6/h1-3H.
What are the key properties of 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 266.02 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118094604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).