methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate

C15H9ClF3N3O2 — CID 118101446

IUPACmethyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C15H9ClF3N3O2/c1-24-14(23)8-6-9(20-10(16)7-8)12-13(15(17,18)19)21-11-4-2-3-5-22(11)12/h2-7H,1H3
InChIKeyDMTRFGDSTUCRGM-UHFFFAOYSA-N
MW355.70 g/mol
LogP3.86
Rot. Bonds2

About methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate

methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate (PubChem CID 118101446) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate
PubChem CID118101446
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Namemethyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C15H9ClF3N3O2/c1-24-14(23)8-6-9(20-10(16)7-8)12-13(15(17,18)19)21-11-4-2-3-5-22(11)12/h2-7H,1H3
InChIKeyDMTRFGDSTUCRGM-UHFFFAOYSA-N
XLogP3.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate (CID 118101446) is methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.
What is the InChIKey of methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate?
The InChIKey is DMTRFGDSTUCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c1-24-14(23)8-6-9(20-10(16)7-8)12-13(15(17,18)19)21-11-4-2-3-5-22(11)12/h2-7H,1H3.
What are the key properties of methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate?
methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate has a molecular weight of 355.70 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 118101446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).