2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C15H11ClF3IN4S — CID 135289905

IUPAC2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)nc(I)c2n1C
InChIInChI=1S/C15H11ClF3IN4S/c1-3-25-8-4-5-10(16)23-11(8)14-21-7-6-9(15(17,18)19)22-13(20)12(7)24(14)2/h4-6H,3H2,1-2H3
InChIKeyKPPOCJLGPZRWHH-UHFFFAOYSA-N
MW498.70 g/mol
LogP5.42
Rot. Bonds3

About 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135289905) has the molecular formula C15H11ClF3IN4S and a molecular weight of 498.70 g/mol. Its IUPAC name is 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135289905
Molecular FormulaC15H11ClF3IN4S
Molecular Weight498.70 g/mol
Exact Mass497.94
IUPAC Name2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)nc(I)c2n1C
InChIInChI=1S/C15H11ClF3IN4S/c1-3-25-8-4-5-10(16)23-11(8)14-21-7-6-9(15(17,18)19)22-13(20)12(7)24(14)2/h4-6H,3H2,1-2H3
InChIKeyKPPOCJLGPZRWHH-UHFFFAOYSA-N
XLogP5.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Related Compounds

6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 135299001
6-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 126574535
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonitrile
CID 135289901
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 158744795
2-[3,6-bis(ethylsulfanyl)-2-pyridinyl]-1-methyl-5-(trifluoromethylsulfanyl)benzimidazole
CID 118616189
5-cyclopropyl-2-[3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 129184245
2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134466906
2-[5-[(1E,3Z)-2-chloropenta-1,3-dienyl]-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145301709
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 145063627
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135289905) is 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)nc(I)c2n1C.
What is the InChIKey of 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is KPPOCJLGPZRWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3IN4S/c1-3-25-8-4-5-10(16)23-11(8)14-21-7-6-9(15(17,18)19)22-13(20)12(7)24(14)2/h4-6H,3H2,1-2H3.
What are the key properties of 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 498.70 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135289905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).