3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

C16H12ClF3N2O2 — CID 162358091

IUPAC3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1cnc(Cl)cc1C1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12ClF3N2O2/c1-15(10-6-13(17)21-7-12(10)24-2)9-4-3-8(16(18,19)20)5-11(9)22-14(15)23/h3-7H,1-2H3,(H,22,23)
InChIKeyLIZDJAXZZZZKKE-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.02
Rot. Bonds2

About 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 162358091) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID162358091
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1cnc(Cl)cc1C1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12ClF3N2O2/c1-15(10-6-13(17)21-7-12(10)24-2)9-4-3-8(16(18,19)20)5-11(9)22-14(15)23/h3-7H,1-2H3,(H,22,23)
InChIKeyLIZDJAXZZZZKKE-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358071
(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358151
3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 11079059
methyl 3-chloro-2-[3-fluoro-2-oxo-6-(trifluoromethyl)-1H-indol-3-yl]benzoate
CID 175883383
3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 122390604
6-(5-chloro-2-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,2]oxazol-5-one
CID 162358137
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11145115
3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 18412763
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 122490665
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
3-fluoro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 164519580

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (CID 162358091) is 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is COc1cnc(Cl)cc1C1(C)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is LIZDJAXZZZZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c1-15(10-6-13(17)21-7-12(10)24-2)9-4-3-8(16(18,19)20)5-11(9)22-14(15)23/h3-7H,1-2H3,(H,22,23).
What are the key properties of 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 356.73 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 162358091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).