5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C15H10Cl2N2O3 — CID 19114958

IUPAC5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H10Cl2N2O3/c1-7-10(6-18)14(21)19(2)15(22)12(7)13(20)9-4-3-8(16)5-11(9)17/h3-5,22H,1-2H3
InChIKeySLLICLJEGREORG-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.81
Rot. Bonds2

About 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114958) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114958
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H10Cl2N2O3/c1-7-10(6-18)14(21)19(2)15(22)12(7)13(20)9-4-3-8(16)5-11(9)17/h3-5,22H,1-2H3
InChIKeySLLICLJEGREORG-UHFFFAOYSA-N
XLogP2.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
CID 141465763
(E)-4-(2,4-dichlorophenyl)-N-ethyl-N-methyl-4-oxobut-2-enamide
CID 155526936
(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
CID 155562022
5-(2,4-Dichlorobenzoyl)-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117764
5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 15294785
2-(2,4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile
CID 19991824
2-[(Dimethylamino)methylene]-3-oxo-3-(2,4-dichlorophenyl)propanenitrile
CID 45036885
2-(2,4-Dichlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 53395393
CID 53399666
CID 53399666
5-(2,4-Dichlorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 53761502
2-cyano-3-(2,6-dichlorophenyl)-N,N-dimethyl-3-oxopropanamide
CID 53952509
2-cyano-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-oxopropanamide
CID 53973067

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114958) is 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)c2ccc(Cl)cc2Cl)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is SLLICLJEGREORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-7-10(6-18)14(21)19(2)15(22)12(7)13(20)9-4-3-8(16)5-11(9)17/h3-5,22H,1-2H3.
What are the key properties of 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 337.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorobenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).