6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine

C16H12BrF5N4OS — CID 121458174

IUPAC6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)(F)Br)ncc2n1C
InChIInChI=1S/C16H12BrF5N4OS/c1-3-28-11-4-8(15(18,19)20)6-24-13(11)14-25-9-5-12(27-16(17,21)22)23-7-10(9)26(14)2/h4-7H,3H2,1-2H3
InChIKeyQWIVEIBMOHGAGV-UHFFFAOYSA-N
MW483.26 g/mol
LogP5.49
Rot. Bonds5

About 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine

6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine (PubChem CID 121458174) has the molecular formula C16H12BrF5N4OS and a molecular weight of 483.26 g/mol. Its IUPAC name is 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
PubChem CID121458174
Molecular FormulaC16H12BrF5N4OS
Molecular Weight483.26 g/mol
Exact Mass481.98
IUPAC Name6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)(F)Br)ncc2n1C
InChIInChI=1S/C16H12BrF5N4OS/c1-3-28-11-4-8(15(18,19)20)6-24-13(11)14-25-9-5-12(27-16(17,21)22)23-7-10(9)26(14)2/h4-7H,3H2,1-2H3
InChIKeyQWIVEIBMOHGAGV-UHFFFAOYSA-N
XLogP5.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.26
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Methoxy-3-pyridinyl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 155552822
3-(6-Methoxy-3-pyridinyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155569341
US20250101019, Example 78
CID 169755973
1-[[5-(Amino-methylidene-oxo-lambda6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine
CID 175670512
US20250101019, Example 76
CID 172398762
US20250101019, Example 75
CID 172398884
US20250101019, Example 77
CID 176511028
US20250346593, Example 106
CID 177773509
2-(6-methoxy-3-pyridinyl)-9-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086240
2-(3Fluoropheyl)-1-(6-methoxy-3-pyridyl)-1H-imidazo [4,5-c]pyridine-4-amine
CID 12136946
4-[3-(6-Methoxypyridin-3-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole
CID 53250479
4-[3-(6-Methoxypyridin-3-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole
CID 53250480

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine (CID 121458174) is 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine is CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)(F)Br)ncc2n1C.
What is the InChIKey of 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The InChIKey is QWIVEIBMOHGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF5N4OS/c1-3-28-11-4-8(15(18,19)20)6-24-13(11)14-25-9-5-12(27-16(17,21)22)23-7-10(9)26(14)2/h4-7H,3H2,1-2H3.
What are the key properties of 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine has a molecular weight of 483.26 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(difluoro)methoxy]-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 121458174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).