1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C15H15FN2O — CID 65480268

IUPAC1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3ccc(F)cn3)c2C1
InChIInChI=1S/C15H15FN2O/c1-15(2)7-12-11(13(19)8-15)5-6-18(12)14-4-3-10(16)9-17-14/h3-6,9H,7-8H2,1-2H3
InChIKeyJRMNJGZYEYFPHD-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.17
Rot. Bonds1

About 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 65480268) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID65480268
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3ccc(F)cn3)c2C1
InChIInChI=1S/C15H15FN2O/c1-15(2)7-12-11(13(19)8-15)5-6-18(12)14-4-3-10(16)9-17-14/h3-6,9H,7-8H2,1-2H3
InChIKeyJRMNJGZYEYFPHD-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 65480268) is 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(-c3ccc(F)cn3)c2C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is JRMNJGZYEYFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-15(2)7-12-11(13(19)8-15)5-6-18(12)14-4-3-10(16)9-17-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 258.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 65480268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).