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

C13H8BrF2N3S — CID 79306766

IUPAC6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1ccc(F)c(Cn2c(=S)[nH]c3cc(Br)cnc32)c1
InChIInChI=1S/C13H8BrF2N3S/c14-8-4-11-12(17-5-8)19(13(20)18-11)6-7-3-9(15)1-2-10(7)16/h1-5H,6H2,(H,18,20)
InChIKeyQOBKSNXLXGFVIV-UHFFFAOYSA-N
MW356.20 g/mol
LogP4.18
Rot. Bonds2

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

6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306766) has the molecular formula C13H8BrF2N3S and a molecular weight of 356.20 g/mol. Its IUPAC name is 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306766
Molecular FormulaC13H8BrF2N3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC Name6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESFc1ccc(F)c(Cn2c(=S)[nH]c3cc(Br)cnc32)c1
InChIInChI=1S/C13H8BrF2N3S/c14-8-4-11-12(17-5-8)19(13(20)18-11)6-7-3-9(15)1-2-10(7)16/h1-5H,6H2,(H,18,20)
InChIKeyQOBKSNXLXGFVIV-UHFFFAOYSA-N
XLogP4.18
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

6-bromo-3-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306618
6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306380
6-bromo-3-[(2,5-difluorophenyl)methyl]-5-fluoro-1H-benzimidazole-2-thione
CID 66087836
3-[(2,5-difluorophenyl)methyl]-6-fluoro-1H-benzimidazole-2-thione
CID 63795001
6-bromo-3-[(4-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114956834
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307040
6-bromo-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306745
3-[(2,5-difluorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 63379599
4-[(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 79306689
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
3-[(2,5-difluorophenyl)methyl]-6-iodo-1H-benzimidazole-2-thione
CID 66081726

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306766) is 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is Fc1ccc(F)c(Cn2c(=S)[nH]c3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QOBKSNXLXGFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3S/c14-8-4-11-12(17-5-8)19(13(20)18-11)6-7-3-9(15)1-2-10(7)16/h1-5H,6H2,(H,18,20).
What are the key properties of 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 356.20 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).