3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine

C10H11BrN2S — CID 3388975

IUPAC3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCCSCc1nc2ccccn2c1Br
InChIInChI=1S/C10H11BrN2S/c1-2-14-7-8-10(11)13-6-4-3-5-9(13)12-8/h3-6H,2,7H2,1H3
InChIKeyVAHIPWCCDUJWGV-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.35
Rot. Bonds3

About 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine

3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 3388975) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID3388975
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCCSCc1nc2ccccn2c1Br
InChIInChI=1S/C10H11BrN2S/c1-2-14-7-8-10(11)13-6-4-3-5-9(13)12-8/h3-6H,2,7H2,1H3
InChIKeyVAHIPWCCDUJWGV-UHFFFAOYSA-N
XLogP3.35
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 3388975) is 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine is CCSCc1nc2ccccn2c1Br.
What is the InChIKey of 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is VAHIPWCCDUJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-2-14-7-8-10(11)13-6-4-3-5-9(13)12-8/h3-6H,2,7H2,1H3.
What are the key properties of 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine?
3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 271.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 3388975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).