2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

C17H13F3N2O2 — CID 137355339

IUPAC2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cccn2c(C(=O)OCC(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C17H13F3N2O2/c1-11-6-5-9-22-14(16(23)24-10-17(18,19)20)13(21-15(11)22)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyVVTPJPRAQNYUAN-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.03
Rot. Bonds3

About 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 137355339) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID137355339
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cccn2c(C(=O)OCC(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C17H13F3N2O2/c1-11-6-5-9-22-14(16(23)24-10-17(18,19)20)13(21-15(11)22)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyVVTPJPRAQNYUAN-UHFFFAOYSA-N
XLogP4.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 137355339) is 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is Cc1cccn2c(C(=O)OCC(F)(F)F)c(-c3ccccc3)nc12.
What is the InChIKey of 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is VVTPJPRAQNYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-11-6-5-9-22-14(16(23)24-10-17(18,19)20)13(21-15(11)22)12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 334.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 137355339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).