8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine

C9H9BrN2S — CID 117256707

IUPAC8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCSCc1cn2cccc(Br)c2n1
InChIInChI=1S/C9H9BrN2S/c1-13-6-7-5-12-4-2-3-8(10)9(12)11-7/h2-5H,6H2,1H3
InChIKeyPAGJQHXUSCRXMN-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.96
Rot. Bonds2

About 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine

8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117256707) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID117256707
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCSCc1cn2cccc(Br)c2n1
InChIInChI=1S/C9H9BrN2S/c1-13-6-7-5-12-4-2-3-8(10)9(12)11-7/h2-5H,6H2,1H3
InChIKeyPAGJQHXUSCRXMN-UHFFFAOYSA-N
XLogP2.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-bromoimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115044020
8-bromo-2-[(4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256691
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
8-bromo-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117137871
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 117137359
8-bromo-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136060
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)propan-2-ol
CID 58449903
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136980
8-bromo-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridine
CID 115405033
8-bromo-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 113303446
8-bromo-2-[[4-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 166276525

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 117256707) is 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine is CSCc1cn2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is PAGJQHXUSCRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-13-6-7-5-12-4-2-3-8(10)9(12)11-7/h2-5H,6H2,1H3.
What are the key properties of 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine?
8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 257.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117256707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).