5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane

C17H13F5N2O2 — CID 172606670

IUPAC5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
SMILESCOC.O=Cc1c(-c2ccc(C(F)(F)F)cn2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H7F5N2O.C2H6O/c16-8-3-9-10(6-23)14(22-13(9)11(17)4-8)12-2-1-7(5-21-12)15(18,19)20;1-3-2/h1-6,22H;1-2H3
InChIKeyJEOHOSJAUNHEMD-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.60
Rot. Bonds2

About 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane

5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane (PubChem CID 172606670) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
PubChem CID172606670
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
SMILESCOC.O=Cc1c(-c2ccc(C(F)(F)F)cn2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H7F5N2O.C2H6O/c16-8-3-9-10(6-23)14(22-13(9)11(17)4-8)12-2-1-7(5-21-12)15(18,19)20;1-3-2/h1-6,22H;1-2H3
InChIKeyJEOHOSJAUNHEMD-UHFFFAOYSA-N
XLogP4.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
(3S)-3-[[5-[5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 172606766
5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
CID 172606579
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
CID 4519698
2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine
CID 167261697
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359
ethyl 5,7-difluoro-3-formyl-1H-indole-2-carboxylate
CID 4587029
3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 172606600
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane?
The IUPAC name of 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane (CID 172606670) is 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane.
What is the SMILES notation for 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane?
The canonical SMILES for 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane is COC.O=Cc1c(-c2ccc(C(F)(F)F)cn2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane?
The InChIKey is JEOHOSJAUNHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O.C2H6O/c16-8-3-9-10(6-23)14(22-13(9)11(17)4-8)12-2-1-7(5-21-12)15(18,19)20;1-3-2/h1-6,22H;1-2H3.
What are the key properties of 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane?
5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane has a molecular weight of 372.29 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane is sourced from PubChem (CID 172606670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).