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

C9H10FN3S — CID 130504394

IUPAC3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCF
InChIInChI=1S/C9H10FN3S/c1-6-2-4-11-8-7(6)12-9(14)13(8)5-3-10/h2,4H,3,5H2,1H3,(H,12,14)
InChIKeyCCLAYIIRKKYWBV-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.37
Rot. Bonds2

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

3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 130504394) has the molecular formula C9H10FN3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID130504394
Molecular FormulaC9H10FN3S
Molecular Weight211.26 g/mol
Exact Mass211.06
IUPAC Name3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCF
InChIInChI=1S/C9H10FN3S/c1-6-2-4-11-8-7(6)12-9(14)13(8)5-3-10/h2,4H,3,5H2,1H3,(H,12,14)
InChIKeyCCLAYIIRKKYWBV-UHFFFAOYSA-N
XLogP2.37
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.37
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-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 115407756
7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288273
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288641
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288920
3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288942
3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 102699310
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79287910
3-(4-imidazol-1-ylbutyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79287920
7-methyl-3-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79276988
3-[[1-(dimethylamino)cyclopentyl]methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 83114698

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 130504394) is 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CCF.
What is the InChIKey of 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CCLAYIIRKKYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-6-2-4-11-8-7(6)12-9(14)13(8)5-3-10/h2,4H,3,5H2,1H3,(H,12,14).
What are the key properties of 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 211.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 130504394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).