3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one

C14H12N2O2 — CID 22733

IUPAC3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17)
InChIKeyNGKGBFMNFGPGGV-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.46
Rot. Bonds2

About 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one

3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one (PubChem CID 22733) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
PubChem CID22733
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccccn1
InChIInChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17)
InChIKeyNGKGBFMNFGPGGV-UHFFFAOYSA-N
XLogP1.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one (CID 22733) is 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)Cc1ccccn1.
What is the InChIKey of 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The InChIKey is NGKGBFMNFGPGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17).
What are the key properties of 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one has a molecular weight of 240.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 22733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).