3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one

C20H15ClN2O2 — CID 51350119

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccccn1
InChIInChI=1S/C20H15ClN2O2/c21-15-10-8-14(9-11-15)20(25)18-7-2-1-6-17(18)19(24)23(20)13-16-5-3-4-12-22-16/h1-12,25H,13H2
InChIKeyUJJXLRBGIDDAHN-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.58
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one (PubChem CID 51350119) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one
PubChem CID51350119
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccccn1
InChIInChI=1S/C20H15ClN2O2/c21-15-10-8-14(9-11-15)20(25)18-7-2-1-6-17(18)19(24)23(20)13-16-5-3-4-12-22-16/h1-12,25H,13H2
InChIKeyUJJXLRBGIDDAHN-UHFFFAOYSA-N
XLogP3.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
CID 135282593
3-benzyl-5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599882
(3R)-3-(4-Chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-6-(2-hydroxypropan-2-yl)-3-[(1-methoxycyclopropyl)methoxy]-2,3-dihydro-1H-isoindol-1-one
CID 135282635
(3R)-3-(4-Chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-6-(2-hydroxypropan-2-yl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 135282801
(3R)-3-(4-Chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-{[1-(hydroxymethyl)cyclopropyl]methoxy}-6-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-isoindol-1-one
CID 135282822
(3R)-3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-3-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-4-fluoro-6-(2-hydroxypropan-2-yl)isoindol-1-one
CID 140963861
3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one
CID 250222
5-(4-Chlorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1-(3-pyridylmethyl)-3-pyrrolin-2-one
CID 5291417
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 95244709
2-(4-chlorophenyl)indolizine-1-carboxylic Acid
CID 1491132
6-[[(3E)-3-[(4-chlorophenyl)-phenylmethylidene]-2-oxoindol-1-yl]methyl]pyridine-3-carboxylic acid
CID 51034106
1-(4-chlorobenzyl)-1H-indole-3-carboxylic acid
CID 3744270

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one (CID 51350119) is 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one?
The InChIKey is UJJXLRBGIDDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-15-10-8-14(9-11-15)20(25)18-7-2-1-6-17(18)19(24)23(20)13-16-5-3-4-12-22-16/h1-12,25H,13H2.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one has a molecular weight of 350.81 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-(pyridin-2-ylmethyl)isoindol-1-one is sourced from PubChem (CID 51350119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).