1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one

C14H13FN2O — CID 65480469

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(F)cn1)CCCC2=O
InChIInChI=1S/C14H13FN2O/c1-9-7-11-12(3-2-4-13(11)18)17(9)14-6-5-10(15)8-16-14/h5-8H,2-4H2,1H3
InChIKeyFXROXJDNUPVLGL-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.84
Rot. Bonds1

About 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one

1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 65480469) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID65480469
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(F)cn1)CCCC2=O
InChIInChI=1S/C14H13FN2O/c1-9-7-11-12(3-2-4-13(11)18)17(9)14-6-5-10(15)8-16-14/h5-8H,2-4H2,1H3
InChIKeyFXROXJDNUPVLGL-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one (CID 65480469) is 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1-c1ccc(F)cn1)CCCC2=O.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is FXROXJDNUPVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-7-11-12(3-2-4-13(11)18)17(9)14-6-5-10(15)8-16-14/h5-8H,2-4H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
1-(5-fluoro-2-pyridinyl)-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 244.27 g/mol, XLogP of 2.84, 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)-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 65480469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).