4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

C16H13ClN2O3 — CID 12777142

IUPAC4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccncc1
InChIInChI=1S/C16H13ClN2O3/c1-9-2-3-11(17)13-14(9)19-15(21)16(13,22)8-12(20)10-4-6-18-7-5-10/h2-7,22H,8H2,1H3,(H,19,21)
InChIKeyPJCUZPQXGFMZST-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (PubChem CID 12777142) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
PubChem CID12777142
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccncc1
InChIInChI=1S/C16H13ClN2O3/c1-9-2-3-11(17)13-14(9)19-15(21)16(13,22)8-12(20)10-4-6-18-7-5-10/h2-7,22H,8H2,1H3,(H,19,21)
InChIKeyPJCUZPQXGFMZST-UHFFFAOYSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The IUPAC name of 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (CID 12777142) is 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccncc1.
What is the InChIKey of 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The InChIKey is PJCUZPQXGFMZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-9-2-3-11(17)13-14(9)19-15(21)16(13,22)8-12(20)10-4-6-18-7-5-10/h2-7,22H,8H2,1H3,(H,19,21).
What are the key properties of 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one has a molecular weight of 316.74 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 12777142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).