methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate

C15H10Cl2N2O3 — CID 168585162

IUPACmethyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate
SMILESCOC(=O)c1cc(Cl)c(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3/c1-7-3-9(10(6-18)14(20)19-7)13-11(16)4-8(5-12(13)17)15(21)22-2/h3-5H,1-2H3,(H,19,20)
InChIKeyPMJXEAIUAMNPTR-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.32
Rot. Bonds2

About methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate

methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate (PubChem CID 168585162) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate
PubChem CID168585162
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Namemethyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate
SMILESCOC(=O)c1cc(Cl)c(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3/c1-7-3-9(10(6-18)14(20)19-7)13-11(16)4-8(5-12(13)17)15(21)22-2/h3-5H,1-2H3,(H,19,20)
InChIKeyPMJXEAIUAMNPTR-UHFFFAOYSA-N
XLogP3.32
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methylbenzoate
CID 168585814
methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methoxybenzoate
CID 168586451
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
methyl 5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methylbenzoate
CID 168586089
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
4-(2,3-dichloro-5,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587267
methyl 3-chloro-4-cyano-5-ethylbenzoate
CID 134613804
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] 4-chlorobenzoate
CID 168586606
methyl 3-chloro-4-cyano-5-formylbenzoate
CID 131449655
6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile
CID 168586371

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate?
The IUPAC name of methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate (CID 168585162) is methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate?
The canonical SMILES for methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate is COC(=O)c1cc(Cl)c(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1.
What is the InChIKey of methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate?
The InChIKey is PMJXEAIUAMNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-7-3-9(10(6-18)14(20)19-7)13-11(16)4-8(5-12(13)17)15(21)22-2/h3-5H,1-2H3,(H,19,20).
What are the key properties of methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate?
methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate has a molecular weight of 337.16 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoate is sourced from PubChem (CID 168585162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).