(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

C17H13F3N2O3 — CID 178155365

IUPAC(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(OC)c2c(C(=O)c3cccc(C(F)(F)F)n3)c[nH]c12
InChIInChI=1S/C17H13F3N2O3/c1-24-11-6-7-12(25-2)15-14(11)9(8-21-15)16(23)10-4-3-5-13(22-10)17(18,19)20/h3-8,21H,1-2H3
InChIKeyHLGRLFIOBJYDKY-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.83
Rot. Bonds4

About (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 178155365) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID178155365
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(OC)c2c(C(=O)c3cccc(C(F)(F)F)n3)c[nH]c12
InChIInChI=1S/C17H13F3N2O3/c1-24-11-6-7-12(25-2)15-14(11)9(8-21-15)16(23)10-4-3-5-13(22-10)17(18,19)20/h3-8,21H,1-2H3
InChIKeyHLGRLFIOBJYDKY-UHFFFAOYSA-N
XLogP3.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155315
(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155369
(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155287
6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
4-methoxy-3-(2,2,2-trifluoroacetyl)-1H-indole-7-carbonitrile
CID 59067902
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206823
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 178155365) is (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is COc1ccc(OC)c2c(C(=O)c3cccc(C(F)(F)F)n3)c[nH]c12.
What is the InChIKey of (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is HLGRLFIOBJYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-24-11-6-7-12(25-2)15-14(11)9(8-21-15)16(23)10-4-3-5-13(22-10)17(18,19)20/h3-8,21H,1-2H3.
What are the key properties of (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 350.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 178155365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).