6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one

C14H9F3N2O — CID 155502531

IUPAC6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2N1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-3-4-11(18-7-10)8-1-2-9-6-13(20)19-12(9)5-8/h1-5,7H,6H2,(H,19,20)
InChIKeyNQZKTNBUPYFFQD-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.26
Rot. Bonds1

About 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one

6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one (PubChem CID 155502531) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
PubChem CID155502531
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2N1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-3-4-11(18-7-10)8-1-2-9-6-13(20)19-12(9)5-8/h1-5,7H,6H2,(H,19,20)
InChIKeyNQZKTNBUPYFFQD-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-inden-5-yl)-5-(trifluoromethyl)pyridine
CID 165456460
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
N-[(2S)-2-fluoro-2-[4-(2-oxo-1,3-dihydroindol-6-yl)phenyl]propyl]propane-2-sulfonamide
CID 10157215
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154812350
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
7-[4-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 12001289
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 110208652
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
6-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylic acid
CID 168510073

Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one (CID 155502531) is 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one is O=C1Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2N1.
What is the InChIKey of 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one?
The InChIKey is NQZKTNBUPYFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)10-3-4-11(18-7-10)8-1-2-9-6-13(20)19-12(9)5-8/h1-5,7H,6H2,(H,19,20).
What are the key properties of 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one?
6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one has a molecular weight of 278.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 155502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).