(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol

C8H7BrN2S — CID 117256103

IUPAC(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
SMILESSCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C8H7BrN2S/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
InChIKeyFQQXWNAJKHCXSQ-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.53
Rot. Bonds1

About (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol

(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol (PubChem CID 117256103) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
PubChem CID117256103
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
SMILESSCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C8H7BrN2S/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
InChIKeyFQQXWNAJKHCXSQ-UHFFFAOYSA-N
XLogP2.53
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol 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

6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine
CID 117130894
6-bromo-2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine
CID 117130921
6-bromo-2-(furan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117130982
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
2-[(4-bromophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117130599
N-(2-aminoethyl)-2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide
CID 39161966
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47235080
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
CID 47062124
(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 97230453
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616

Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol?
The IUPAC name of (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol (CID 117256103) is (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol.
What is the SMILES notation for (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol?
The canonical SMILES for (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol is SCc1cn2cc(Br)ccc2n1.
What is the InChIKey of (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol?
The InChIKey is FQQXWNAJKHCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2.
What are the key properties of (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol?
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol has a molecular weight of 243.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol is sourced from PubChem (CID 117256103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).