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

C8H4F3N3O2 — CID 3842545

IUPAC2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)5-4(6(15)16)14-3-1-2-12-7(14)13-5/h1-3H,(H,15,16)
InChIKeyMFYCLSPJPLRJFF-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.45
Rot. Bonds1

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

2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 3842545) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID3842545
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)5-4(6(15)16)14-3-1-2-12-7(14)13-5/h1-3H,(H,15,16)
InChIKeyMFYCLSPJPLRJFF-UHFFFAOYSA-N
XLogP1.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 3842545) is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc2ncccn12.
What is the InChIKey of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is MFYCLSPJPLRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)5-4(6(15)16)14-3-1-2-12-7(14)13-5/h1-3H,(H,15,16).
What are the key properties of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 231.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 3842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).