2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine

C15H14BrN3O2S — CID 158060267

IUPAC2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCOSOc1cc(Br)cnc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C15H14BrN3O2S/c1-3-20-22-21-13-7-11(16)8-17-15(13)12-9-19-5-4-10(2)6-14(19)18-12/h4-9H,3H2,1-2H3
InChIKeyFKOAJCHWSQXVOP-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.45
Rot. Bonds5

About 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine

2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 158060267) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID158060267
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCOSOc1cc(Br)cnc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C15H14BrN3O2S/c1-3-20-22-21-13-7-11(16)8-17-15(13)12-9-19-5-4-10(2)6-14(19)18-12/h4-9H,3H2,1-2H3
InChIKeyFKOAJCHWSQXVOP-UHFFFAOYSA-N
XLogP4.45
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 118973263
2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-5,5,7,7-tetrafluoro-1-methylfuro[3,4-f]benzimidazole
CID 153456339
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
2-(2-bromo-4,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 177116635
7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridine
CID 115404237
5-bromo-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122322854
7-methyl-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
CID 152667563
6-bromo-7-ethoxy-2-methylimidazo[1,2-a]pyridine
CID 168895176
7-methyl-2-naphthalen-1-ylimidazo[1,2-a]pyridine
CID 115404285
2-(1,3-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-a]pyridine
CID 113303289
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
5-bromo-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122284885

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine (CID 158060267) is 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine is CCOSOc1cc(Br)cnc1-c1cn2ccc(C)cc2n1.
What is the InChIKey of 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is FKOAJCHWSQXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c1-3-20-22-21-13-7-11(16)8-17-15(13)12-9-19-5-4-10(2)6-14(19)18-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine?
2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 380.27 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158060267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).