5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile

C15H10ClN3O — CID 110448644

IUPAC5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile
SMILESCc1c(Cl)ccc2c1C(=O)N(c1cccnc1)C2C#N
InChIInChI=1S/C15H10ClN3O/c1-9-12(16)5-4-11-13(7-17)19(15(20)14(9)11)10-3-2-6-18-8-10/h2-6,8,13H,1H3
InChIKeyOOFZTKPCIDOZRI-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.27
Rot. Bonds1

About 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile

5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile (PubChem CID 110448644) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile
PubChem CID110448644
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile
SMILESCc1c(Cl)ccc2c1C(=O)N(c1cccnc1)C2C#N
InChIInChI=1S/C15H10ClN3O/c1-9-12(16)5-4-11-13(7-17)19(15(20)14(9)11)10-3-2-6-18-8-10/h2-6,8,13H,1H3
InChIKeyOOFZTKPCIDOZRI-UHFFFAOYSA-N
XLogP3.27
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[4-(dimethylamino)phenyl]-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448676
3-(3-chloro-2-methylanilino)-2-pyridin-3-yl-3H-isoindol-1-one
CID 20855066
4,7-dichloro-2-[3-(dimethylamino)phenyl]-3-oxo-1H-isoindole-1-carbonitrile
CID 110449210
5-chloro-2-(1-hydroxybutan-2-yl)-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448642
4-(dimethylamino)-2-(3-hydroxyphenyl)-3-oxo-1H-isoindole-1-carbonitrile
CID 110448506
3-oxo-2-(3,4,5-trichlorophenyl)-1H-isoindole-1-carbonitrile
CID 14435236
6-(dimethylamino)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-1-carbonitrile
CID 110448449
5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile
CID 118022771
4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
CID 141093085
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5345720
2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
CID 71598258
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile?
The IUPAC name of 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile (CID 110448644) is 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile.
What is the SMILES notation for 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile?
The canonical SMILES for 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile is Cc1c(Cl)ccc2c1C(=O)N(c1cccnc1)C2C#N.
What is the InChIKey of 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile?
The InChIKey is OOFZTKPCIDOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-9-12(16)5-4-11-13(7-17)19(15(20)14(9)11)10-3-2-6-18-8-10/h2-6,8,13H,1H3.
What are the key properties of 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile?
5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile is sourced from PubChem (CID 110448644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).