5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one

C16H15FN2O — CID 86581203

IUPAC5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(F)c(-c3cccnc3)cc21
InChIInChI=1S/C16H15FN2O/c1-16(2)12-8-13(17)11(10-5-4-6-18-9-10)7-14(12)19(3)15(16)20/h4-9H,1-3H3
InChIKeyPDZKQEHEWLDSFL-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.14
Rot. Bonds1

About 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one

5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one (PubChem CID 86581203) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one.

Molecular Properties

Compound Name5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one
PubChem CID86581203
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(F)c(-c3cccnc3)cc21
InChIInChI=1S/C16H15FN2O/c1-16(2)12-8-13(17)11(10-5-4-6-18-9-10)7-14(12)19(3)15(16)20/h4-9H,1-3H3
InChIKeyPDZKQEHEWLDSFL-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one?
The IUPAC name of 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one (CID 86581203) is 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one.
What is the SMILES notation for 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one?
The canonical SMILES for 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one is CN1C(=O)C(C)(C)c2cc(F)c(-c3cccnc3)cc21.
What is the InChIKey of 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one?
The InChIKey is PDZKQEHEWLDSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-16(2)12-8-13(17)11(10-5-4-6-18-9-10)7-14(12)19(3)15(16)20/h4-9H,1-3H3.
What are the key properties of 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one?
5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one has a molecular weight of 270.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one is sourced from PubChem (CID 86581203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).