1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one

C15H11F3N2O — CID 175883414

IUPAC1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)C(c2ccncc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H11F3N2O/c1-20-12-8-10(15(16,17)18)2-3-11(12)13(14(20)21)9-4-6-19-7-5-9/h2-8,13H,1H3
InChIKeyRTLPWWRUXHBXMZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.21
Rot. Bonds1

About 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one

1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 175883414) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID175883414
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)C(c2ccncc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H11F3N2O/c1-20-12-8-10(15(16,17)18)2-3-11(12)13(14(20)21)9-4-6-19-7-5-9/h2-8,13H,1H3
InChIKeyRTLPWWRUXHBXMZ-UHFFFAOYSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one (CID 175883414) is 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one is CN1C(=O)C(c2ccncc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is RTLPWWRUXHBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-20-12-8-10(15(16,17)18)2-3-11(12)13(14(20)21)9-4-6-19-7-5-9/h2-8,13H,1H3.
What are the key properties of 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one?
1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 175883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).