3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine

C14H11FN2S — CID 154706945

IUPAC3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(SCc3ccccc3)n2c1
InChIInChI=1S/C14H11FN2S/c15-12-6-7-13-16-8-14(17(13)9-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyFBRAFOPGIRCLLW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.77
Rot. Bonds3

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

3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine (PubChem CID 154706945) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
PubChem CID154706945
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(SCc3ccccc3)n2c1
InChIInChI=1S/C14H11FN2S/c15-12-6-7-13-16-8-14(17(13)9-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyFBRAFOPGIRCLLW-UHFFFAOYSA-N
XLogP3.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine
CID 155931585
3-[(4-bromophenyl)methylsulfanyl]imidazo[1,2-a]pyridine
CID 155931273
6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 67002292
6-fluoroimidazo[1,2-a]pyridin-3-ol
CID 55265845
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide
CID 82530283
(2-benzyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82223117
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223118
5-(2-benzylsulfanylacetyl)-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91818328
5-benzylsulfanyl-2-chloro-4-fluoropyridine
CID 171096656
4-benzylsulfanyl-1-methylimidazole
CID 19810957
3-benzylsulfanyl-7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 18570029

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine?
The IUPAC name of 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine (CID 154706945) is 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine is Fc1ccc2ncc(SCc3ccccc3)n2c1.
What is the InChIKey of 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine?
The InChIKey is FBRAFOPGIRCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-12-6-7-13-16-8-14(17(13)9-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine?
3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine has a molecular weight of 258.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 154706945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).