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

C8H3ClF3N3O — CID 176614092

IUPAC2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H3ClF3N3O/c9-6(16)4-5(8(10,11)12)14-7-13-2-1-3-15(4)7/h1-3H
InChIKeyWSEBRAXXLTYWBC-UHFFFAOYSA-N
MW249.58 g/mol
LogP2.13
Rot. Bonds1

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

2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride (PubChem CID 176614092) has the molecular formula C8H3ClF3N3O and a molecular weight of 249.58 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride
PubChem CID176614092
Molecular FormulaC8H3ClF3N3O
Molecular Weight249.58 g/mol
Exact Mass248.99
IUPAC Name2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)(F)F)nc2ncccn12
InChIInChI=1S/C8H3ClF3N3O/c9-6(16)4-5(8(10,11)12)14-7-13-2-1-3-15(4)7/h1-3H
InChIKeyWSEBRAXXLTYWBC-UHFFFAOYSA-N
XLogP2.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride?
The IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride (CID 176614092) is 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride is O=C(Cl)c1c(C(F)(F)F)nc2ncccn12.
What is the InChIKey of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride?
The InChIKey is WSEBRAXXLTYWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3O/c9-6(16)4-5(8(10,11)12)14-7-13-2-1-3-15(4)7/h1-3H.
What are the key properties of 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride?
2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride has a molecular weight of 249.58 g/mol, XLogP of 2.13, 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-carbonyl chloride is sourced from PubChem (CID 176614092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).