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

C14H11BrFN3S — CID 79306380

IUPAC6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1ccccc1CCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C14H11BrFN3S/c15-10-7-12-13(17-8-10)19(14(20)18-12)6-5-9-3-1-2-4-11(9)16/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyWFFLAAIHJPHZOZ-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.24
Rot. Bonds3

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

6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306380) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306380
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1ccccc1CCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C14H11BrFN3S/c15-10-7-12-13(17-8-10)19(14(20)18-12)6-5-9-3-1-2-4-11(9)16/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyWFFLAAIHJPHZOZ-UHFFFAOYSA-N
XLogP4.24
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306766
6-bromo-3-(2-pyridin-2-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306601
6-bromo-3-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306618
6-bromo-3-[2-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79280211
3-[2-(2-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
CID 29066010
6-bromo-3-[2-(5-bromothiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106034934
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307040
6-bromo-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106105632
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-[2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106034767
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-bromo-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306745

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306380) is 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is Fc1ccccc1CCn1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is WFFLAAIHJPHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c15-10-7-12-13(17-8-10)19(14(20)18-12)6-5-9-3-1-2-4-11(9)16/h1-4,7-8H,5-6H2,(H,18,20).
What are the key properties of 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 352.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).