7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

C15H11BrF3N3S — CID 118973263

IUPAC7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1cn2ccc(Br)cc2n1
InChIInChI=1S/C15H11BrF3N3S/c1-2-23-12-5-9(15(17,18)19)7-20-14(12)11-8-22-4-3-10(16)6-13(22)21-11/h3-8H,2H2,1H3
InChIKeyVWZLJEPFRVUBOC-UHFFFAOYSA-N
MW402.24 g/mol
LogP5.29
Rot. Bonds3

About 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 118973263) has the molecular formula C15H11BrF3N3S and a molecular weight of 402.24 g/mol. Its IUPAC name is 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID118973263
Molecular FormulaC15H11BrF3N3S
Molecular Weight402.24 g/mol
Exact Mass400.98
IUPAC Name7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1cn2ccc(Br)cc2n1
InChIInChI=1S/C15H11BrF3N3S/c1-2-23-12-5-9(15(17,18)19)7-20-14(12)11-8-22-4-3-10(16)6-13(22)21-11/h3-8H,2H2,1H3
InChIKeyVWZLJEPFRVUBOC-UHFFFAOYSA-N
XLogP5.29
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978580
2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146383944
2-(6-bromo-3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 126574537
3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134524965
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine
CID 158060267
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
CID 171490747
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-benzoxazole-5-thiol
CID 162612422
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 144859954
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 90275810

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (CID 118973263) is 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is CCSc1cc(C(F)(F)F)cnc1-c1cn2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is VWZLJEPFRVUBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3S/c1-2-23-12-5-9(15(17,18)19)7-20-14(12)11-8-22-4-3-10(16)6-13(22)21-11/h3-8H,2H2,1H3.
What are the key properties of 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 402.24 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 118973263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).