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

C12H6BrF2N3S — CID 79290132

IUPAC3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1cc(Br)cc(F)c1-n1c(=S)[nH]c2cccnc21
InChIInChI=1S/C12H6BrF2N3S/c13-6-4-7(14)10(8(15)5-6)18-11-9(17-12(18)19)2-1-3-16-11/h1-5H,(H,17,19)
InChIKeyIKQAVXKAXUGCLW-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.12
Rot. Bonds1

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

3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79290132) has the molecular formula C12H6BrF2N3S and a molecular weight of 342.17 g/mol. Its IUPAC name is 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79290132
Molecular FormulaC12H6BrF2N3S
Molecular Weight342.17 g/mol
Exact Mass340.94
IUPAC Name3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1cc(Br)cc(F)c1-n1c(=S)[nH]c2cccnc21
InChIInChI=1S/C12H6BrF2N3S/c13-6-4-7(14)10(8(15)5-6)18-11-9(17-12(18)19)2-1-3-16-11/h1-5H,(H,17,19)
InChIKeyIKQAVXKAXUGCLW-UHFFFAOYSA-N
XLogP4.12
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79290132) is 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is Fc1cc(Br)cc(F)c1-n1c(=S)[nH]c2cccnc21.
What is the InChIKey of 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is IKQAVXKAXUGCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2N3S/c13-6-4-7(14)10(8(15)5-6)18-11-9(17-12(18)19)2-1-3-16-11/h1-5H,(H,17,19).
What are the key properties of 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 342.17 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-difluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79290132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).