4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one

C15H10Cl2N2O3 — CID 121268277

IUPAC4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1
InChIInChI=1S/C15H10Cl2N2O3/c16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8/h1-5,7,22H,6H2,(H,19,21)
InChIKeyQXRVDKZVLJNUCH-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.80
Rot. Bonds3

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

4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one (PubChem CID 121268277) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
PubChem CID121268277
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1
InChIInChI=1S/C15H10Cl2N2O3/c16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8/h1-5,7,22H,6H2,(H,19,21)
InChIKeyQXRVDKZVLJNUCH-UHFFFAOYSA-N
XLogP2.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
CID 159814062
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 167623646
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 160853029
(3R)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;4-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide;4-[2-[(3S)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide
CID 159495651
(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 40963900
(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 957775
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2927962
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7270819
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7680451
1-[[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 175603391

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one (CID 121268277) is 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The InChIKey is QXRVDKZVLJNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8/h1-5,7,22H,6H2,(H,19,21).
What are the key properties of 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one has a molecular weight of 337.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 121268277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).