5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione

C14H13FN2O2 — CID 114410247

IUPAC5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione
SMILESCC1=CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H13FN2O2/c1-8-2-4-17(5-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h2,6-7H,3-5H2,1H3,(H,16,18,19)
InChIKeySPGFEHQSHTZTLG-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.12
Rot. Bonds1

About 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione

5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione (PubChem CID 114410247) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione
PubChem CID114410247
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione
SMILESCC1=CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H13FN2O2/c1-8-2-4-17(5-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h2,6-7H,3-5H2,1H3,(H,16,18,19)
InChIKeySPGFEHQSHTZTLG-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione with MolForge

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Related Compounds

6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
CID 80747271
5-fluoro-3-hydroxy-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114411382
5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 80729747
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 80747278
5-fluoro-6-(3-methylthiomorpholin-4-yl)-1H-indole-2,3-dione
CID 80758039
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 103356460
5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione (CID 114410247) is 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione is CC1=CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1.
What is the InChIKey of 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione?
The InChIKey is SPGFEHQSHTZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-2-4-17(5-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h2,6-7H,3-5H2,1H3,(H,16,18,19).
What are the key properties of 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione?
5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione has a molecular weight of 260.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 114410247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).