3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C15H11ClF3N3S — CID 144859954

IUPAC3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1cccnc1-c1nc2ccc(C(F)(F)F)cn2c1Cl
InChIInChI=1S/C15H11ClF3N3S/c1-2-23-10-4-3-7-20-12(10)13-14(16)22-8-9(15(17,18)19)5-6-11(22)21-13/h3-8H,2H2,1H3
InChIKeyGSLZSWBTCGUACE-UHFFFAOYSA-N
MW357.79 g/mol
LogP5.18
Rot. Bonds3

About 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 144859954) has the molecular formula C15H11ClF3N3S and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID144859954
Molecular FormulaC15H11ClF3N3S
Molecular Weight357.79 g/mol
Exact Mass357.03
IUPAC Name3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1cccnc1-c1nc2ccc(C(F)(F)F)cn2c1Cl
InChIInChI=1S/C15H11ClF3N3S/c1-2-23-10-4-3-7-20-12(10)13-14(16)22-8-9(15(17,18)19)5-6-11(22)21-13/h3-8H,2H2,1H3
InChIKeyGSLZSWBTCGUACE-UHFFFAOYSA-N
XLogP5.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.79
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
CID 151101401
5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 156834247
2-(3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethylsulfanyl)pyrimidine
CID 130471642
7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 118973263
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82530298
6-(3-ethylsulfanyl-2-pyridinyl)-2-(1,1,2,2,2-pentafluoroethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 118181868
2-[2-(3-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 90159283
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060765
6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
CID 157313301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 144859954) is 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCSc1cccnc1-c1nc2ccc(C(F)(F)F)cn2c1Cl.
What is the InChIKey of 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is GSLZSWBTCGUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3S/c1-2-23-10-4-3-7-20-12(10)13-14(16)22-8-9(15(17,18)19)5-6-11(22)21-13/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 357.79 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 144859954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).