2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine

C12H7ClF3N5S — CID 57345416

IUPAC2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ncncc2Cl)nc2cc(SC(F)(F)F)cnc21
InChIInChI=1S/C12H7ClF3N5S/c1-21-10-8(2-6(3-18-10)22-12(14,15)16)20-11(21)9-7(13)4-17-5-19-9/h2-5H,1H3
InChIKeyPHFUMJIRLLZCTF-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.69
Rot. Bonds2

About 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine

2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine (PubChem CID 57345416) has the molecular formula C12H7ClF3N5S and a molecular weight of 345.74 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine
PubChem CID57345416
Molecular FormulaC12H7ClF3N5S
Molecular Weight345.74 g/mol
Exact Mass345.01
IUPAC Name2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ncncc2Cl)nc2cc(SC(F)(F)F)cnc21
InChIInChI=1S/C12H7ClF3N5S/c1-21-10-8(2-6(3-18-10)22-12(14,15)16)20-11(21)9-7(13)4-17-5-19-9/h2-5H,1H3
InChIKeyPHFUMJIRLLZCTF-UHFFFAOYSA-N
XLogP3.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine (CID 57345416) is 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine is Cn1c(-c2ncncc2Cl)nc2cc(SC(F)(F)F)cnc21.
What is the InChIKey of 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine?
The InChIKey is PHFUMJIRLLZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5S/c1-21-10-8(2-6(3-18-10)22-12(14,15)16)20-11(21)9-7(13)4-17-5-19-9/h2-5H,1H3.
What are the key properties of 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine?
2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine has a molecular weight of 345.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-4-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 57345416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).