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

C14H10F3N3S — CID 79276288

IUPAC7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3S/c1-8-6-7-18-12-11(8)19-13(21)20(12)10-5-3-2-4-9(10)14(15,16)17/h2-7H,1H3,(H,19,21)
InChIKeyHCXPVOAJBOMNFW-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.41
Rot. Bonds1

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

7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79276288) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79276288
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3S/c1-8-6-7-18-12-11(8)19-13(21)20(12)10-5-3-2-4-9(10)14(15,16)17/h2-7H,1H3,(H,19,21)
InChIKeyHCXPVOAJBOMNFW-UHFFFAOYSA-N
XLogP4.41
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79276288) is 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2-c1ccccc1C(F)(F)F.
What is the InChIKey of 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is HCXPVOAJBOMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c1-8-6-7-18-12-11(8)19-13(21)20(12)10-5-3-2-4-9(10)14(15,16)17/h2-7H,1H3,(H,19,21).
What are the key properties of 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 309.32 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79276288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).