3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione

C13H9F2N3OS — CID 115321675

IUPAC3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C13H9F2N3OS/c1-19-10-6-5-9-12(17-10)18(13(20)16-9)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H,16,20)
InChIKeyXBTGFQJVMWSIFP-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.37
Rot. Bonds2

About 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione

3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 115321675) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID115321675
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C13H9F2N3OS/c1-19-10-6-5-9-12(17-10)18(13(20)16-9)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H,16,20)
InChIKeyXBTGFQJVMWSIFP-UHFFFAOYSA-N
XLogP3.37
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321991
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584
5-methoxy-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321666
3-(2-chloro-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107529230
3-[4-(dimethylamino)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321740
3-(3,4-dimethylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321690
5-methoxy-3-(1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286823
5-methoxy-3-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 113286822
3-(3-bromo-4-methoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321988
3-(2-ethoxyphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321671
3-(5-bromo-2-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321742
3-(4-bromo-2-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321672

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (CID 115321675) is 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is XBTGFQJVMWSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-19-10-6-5-9-12(17-10)18(13(20)16-9)11-7(14)3-2-4-8(11)15/h2-6H,1H3,(H,16,20).
What are the key properties of 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 293.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 115321675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).