5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C8H6F3N3S — CID 150752958

IUPAC5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCSc1nc2nc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C8H6F3N3S/c1-15-7-4(8(9,10)11)2-5-6(14-7)13-3-12-5/h2-3H,1H3,(H,12,13,14)
InChIKeyJWGMDJADCSNKCD-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.70
Rot. Bonds1

About 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 150752958) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID150752958
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCSc1nc2nc[nH]c2cc1C(F)(F)F
InChIInChI=1S/C8H6F3N3S/c1-15-7-4(8(9,10)11)2-5-6(14-7)13-3-12-5/h2-3H,1H3,(H,12,13,14)
InChIKeyJWGMDJADCSNKCD-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 130438978
6-methylsulfanyl-5-(trifluoromethyl)pyridin-3-amine
CID 131217692
5,6-diethyl-1H-imidazo[4,5-b]pyridine
CID 89128817
5-methylsulfinyl-6-(trifluoromethyl)-1H-benzimidazole
CID 175904809
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-purin-2-amine
CID 157079623
6-iodo-4-(trifluoromethyl)-1H-benzimidazole
CID 130981899
2-(trifluoromethoxy)-7H-purine
CID 86115012
6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
CID 12782385
4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine
CID 5469591
4-fluoro-6-methylsulfanyl-1H-benzimidazole
CID 130838314
6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde
CID 143055815
6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 19257215

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 150752958) is 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is CSc1nc2nc[nH]c2cc1C(F)(F)F.
What is the InChIKey of 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is JWGMDJADCSNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-15-7-4(8(9,10)11)2-5-6(14-7)13-3-12-5/h2-3H,1H3,(H,12,13,14).
What are the key properties of 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 233.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 150752958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).