3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide

C14H11BrFN2S- — CID 45108675

IUPAC3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide
SMILESFc1cccc(CSc2ncc3ccccn23)c1.[Br-]
InChIInChI=1S/C14H11FN2S.BrH/c15-12-5-3-4-11(8-12)10-18-14-16-9-13-6-1-2-7-17(13)14;/h1-9H,10H2;1H/p-1
InChIKeyGDVPMCWJBRZEPJ-UHFFFAOYSA-M
MW338.23 g/mol
LogP0.77
Rot. Bonds3

About 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide

3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide (PubChem CID 45108675) has the molecular formula C14H11BrFN2S- and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide
PubChem CID45108675
Molecular FormulaC14H11BrFN2S-
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide
SMILESFc1cccc(CSc2ncc3ccccn23)c1.[Br-]
InChIInChI=1S/C14H11FN2S.BrH/c15-12-5-3-4-11(8-12)10-18-14-16-9-13-6-1-2-7-17(13)14;/h1-9H,10H2;1H/p-1
InChIKeyGDVPMCWJBRZEPJ-UHFFFAOYSA-M
XLogP0.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide (CID 45108675) is 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide is Fc1cccc(CSc2ncc3ccccn23)c1.[Br-].
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide?
The InChIKey is GDVPMCWJBRZEPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11FN2S.BrH/c15-12-5-3-4-11(8-12)10-18-14-16-9-13-6-1-2-7-17(13)14;/h1-9H,10H2;1H/p-1.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide?
3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide has a molecular weight of 338.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide is sourced from PubChem (CID 45108675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).