3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C9H9F2N3S — CID 115407756

IUPAC3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC(F)F
InChIInChI=1S/C9H9F2N3S/c1-5-2-3-12-8-7(5)13-9(15)14(8)4-6(10)11/h2-3,6H,4H2,1H3,(H,13,15)
InChIKeyATZTXXDLYMVDKL-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.67
Rot. Bonds2

About 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 115407756) has the molecular formula C9H9F2N3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID115407756
Molecular FormulaC9H9F2N3S
Molecular Weight229.25 g/mol
Exact Mass229.05
IUPAC Name3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CC(F)F
InChIInChI=1S/C9H9F2N3S/c1-5-2-3-12-8-7(5)13-9(15)14(8)4-6(10)11/h2-3,6H,4H2,1H3,(H,13,15)
InChIKeyATZTXXDLYMVDKL-UHFFFAOYSA-N
XLogP2.67
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.67
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

3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 102699310
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288273
3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288920
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288641
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79287910
7-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288491
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995
3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 83114698
3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288942

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 115407756) is 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ATZTXXDLYMVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3S/c1-5-2-3-12-8-7(5)13-9(15)14(8)4-6(10)11/h2-3,6H,4H2,1H3,(H,13,15).
What are the key properties of 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 229.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 115407756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).