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

C8H4F3N3O — CID 80500888

IUPAC2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-5(4-15)14-3-1-2-12-7(14)13-6/h1-4H
InChIKeyPEHBSGPRXYKUER-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.56
Rot. Bonds1

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

2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 80500888) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID80500888
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-5(4-15)14-3-1-2-12-7(14)13-6/h1-4H
InChIKeyPEHBSGPRXYKUER-UHFFFAOYSA-N
XLogP1.56
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 15152331
1-imidazo[1,2-a]pyrimidin-3-yl-Ethanone
CID 21957409
1-{Imidazo[1,2-a]pyrimidin-2-yl}ethan-1-one
CID 68050501
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
CID 404535
2-(Trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 3842545
1-(Pyrimidin-2-yl)-1H-imidazole-4-carbaldehyde
CID 22630884
6-Bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 71748358
7-Trifluoromethylimidazo[1,2-alpha]pyrimidine-3-carboxamide
CID 69560089
6-(Trifluoromethyl)imidazo[1,2-A]pyrimidine-3-carbaldehyde
CID 72211206
3-(Trifluoromethyl)imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 84027169
N-(trifluoromethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 123895627
1-[2-(Difluoromethyl)pyrimidin-4-yl]imidazole-4-carbaldehyde
CID 137350826

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 80500888) is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(C(F)(F)F)nc2ncccn12.
What is the InChIKey of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is PEHBSGPRXYKUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)6-5(4-15)14-3-1-2-12-7(14)13-6/h1-4H.
What are the key properties of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 215.13 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 80500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).