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

C12H9BrN4S — CID 79307040

IUPAC6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Br)cnc2n1Cc1ccccn1
InChIInChI=1S/C12H9BrN4S/c13-8-5-10-11(15-6-8)17(12(18)16-10)7-9-3-1-2-4-14-9/h1-6H,7H2,(H,16,18)
InChIKeyJRSRTDZXBNMVMO-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.30
Rot. Bonds2

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

6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79307040) has the molecular formula C12H9BrN4S and a molecular weight of 321.20 g/mol. Its IUPAC name is 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79307040
Molecular FormulaC12H9BrN4S
Molecular Weight321.20 g/mol
Exact Mass319.97
IUPAC Name6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Br)cnc2n1Cc1ccccn1
InChIInChI=1S/C12H9BrN4S/c13-8-5-10-11(15-6-8)17(12(18)16-10)7-9-3-1-2-4-14-9/h1-6H,7H2,(H,16,18)
InChIKeyJRSRTDZXBNMVMO-UHFFFAOYSA-N
XLogP3.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-(2-pyridin-2-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306601
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306745
6-bromo-3-[2-(2-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306380
6-bromo-3-[(4-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114956834
4-[(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 79306689
6-bromo-3-[(2,5-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306766
6-bromo-3-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306618
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
6-bromo-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106105632
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79306600

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79307040) is 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione is S=c1[nH]c2cc(Br)cnc2n1Cc1ccccn1.
What is the InChIKey of 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is JRSRTDZXBNMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4S/c13-8-5-10-11(15-6-8)17(12(18)16-10)7-9-3-1-2-4-14-9/h1-6H,7H2,(H,16,18).
What are the key properties of 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 321.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79307040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).