3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one

C13H8ClFN2O2 — CID 163232440

IUPAC3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(O)c1ccc(Cl)cn1
InChIInChI=1S/C13H8ClFN2O2/c14-7-1-4-11(16-6-7)13(19)9-5-8(15)2-3-10(9)17-12(13)18/h1-6,19H,(H,17,18)
InChIKeyDUNWJBOMORENAR-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.06
Rot. Bonds1

About 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one

3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 163232440) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID163232440
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(O)c1ccc(Cl)cn1
InChIInChI=1S/C13H8ClFN2O2/c14-7-1-4-11(16-6-7)13(19)9-5-8(15)2-3-10(9)17-12(13)18/h1-6,19H,(H,17,18)
InChIKeyDUNWJBOMORENAR-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one (CID 163232440) is 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1(O)c1ccc(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is DUNWJBOMORENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-7-1-4-11(16-6-7)13(19)9-5-8(15)2-3-10(9)17-12(13)18/h1-6,19H,(H,17,18).
What are the key properties of 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 278.67 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 163232440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).