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

C12H8FN3S — CID 79290109

IUPAC3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1cccc(-n2c(=S)[nH]c3cccnc32)c1
InChIInChI=1S/C12H8FN3S/c13-8-3-1-4-9(7-8)16-11-10(15-12(16)17)5-2-6-14-11/h1-7H,(H,15,17)
InChIKeyQQQNOXHVGGSCJP-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.22
Rot. Bonds1

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

3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79290109) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79290109
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC Name3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1cccc(-n2c(=S)[nH]c3cccnc32)c1
InChIInChI=1S/C12H8FN3S/c13-8-3-1-4-9(7-8)16-11-10(15-12(16)17)5-2-6-14-11/h1-7H,(H,15,17)
InChIKeyQQQNOXHVGGSCJP-UHFFFAOYSA-N
XLogP3.22
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.22
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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79290109) is 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is Fc1cccc(-n2c(=S)[nH]c3cccnc32)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QQQNOXHVGGSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-8-3-1-4-9(7-8)16-11-10(15-12(16)17)5-2-6-14-11/h1-7H,(H,15,17).
What are the key properties of 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 245.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79290109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).