6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine

C9H8BrFN2O2S — CID 164816748

IUPAC6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine
SMILESCCOSOc1c(F)nc2ccc(Br)cn12
InChIInChI=1S/C9H8BrFN2O2S/c1-2-14-16-15-9-8(11)12-7-4-3-6(10)5-13(7)9/h3-5H,2H2,1H3
InChIKeyTZJGHJKNRHALOV-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.21
Rot. Bonds4

About 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine

6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine (PubChem CID 164816748) has the molecular formula C9H8BrFN2O2S and a molecular weight of 307.14 g/mol. Its IUPAC name is 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine
PubChem CID164816748
Molecular FormulaC9H8BrFN2O2S
Molecular Weight307.14 g/mol
Exact Mass305.95
IUPAC Name6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine
SMILESCCOSOc1c(F)nc2ccc(Br)cn12
InChIInChI=1S/C9H8BrFN2O2S/c1-2-14-16-15-9-8(11)12-7-4-3-6(10)5-13(7)9/h3-5H,2H2,1H3
InChIKeyTZJGHJKNRHALOV-UHFFFAOYSA-N
XLogP3.21
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(6-bromo-3-ethoxysulfanyloxyimidazo[1,2-a]pyridin-2-yl)-6-methylisoquinolin-1-one
CID 164960572
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412147
2-[3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,5-dimethylpyrazolo[3,4-b]pyridin-3-one
CID 163790798
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
6-bromo-2-propylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405133
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 90420783
7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
CID 144979672
6-bromo-2-iodo-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 178182402
6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 39133122
7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 166370966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine (CID 164816748) is 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine is CCOSOc1c(F)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine?
The InChIKey is TZJGHJKNRHALOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O2S/c1-2-14-16-15-9-8(11)12-7-4-3-6(10)5-13(7)9/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine?
6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine has a molecular weight of 307.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 164816748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).