methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate

C20H13ClN2O4 — CID 10619808

IUPACmethyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C20H13ClN2O4/c1-27-20(26)15-8-12(4-7-18(15)24)14-9-17(23-19(25)16(14)10-22)11-2-5-13(21)6-3-11/h2-9,24H,1H3,(H,23,25)
InChIKeyBNGJNIAFTRCKFS-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.73
Rot. Bonds3

About methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate

methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate (PubChem CID 10619808) has the molecular formula C20H13ClN2O4 and a molecular weight of 380.79 g/mol. Its IUPAC name is methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate
PubChem CID10619808
Molecular FormulaC20H13ClN2O4
Molecular Weight380.79 g/mol
Exact Mass380.06
IUPAC Namemethyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C20H13ClN2O4/c1-27-20(26)15-8-12(4-7-18(15)24)14-9-17(23-19(25)16(14)10-22)11-2-5-13(21)6-3-11/h2-9,24H,1H3,(H,23,25)
InChIKeyBNGJNIAFTRCKFS-UHFFFAOYSA-N
XLogP3.73
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate with MolForge

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Related Compounds

methyl 5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methylbenzoate
CID 168586089
6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656908
4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656503
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
6-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 1475472
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] 4-chlorobenzoate
CID 168586606
6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656504
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
4-tert-butyl-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;ethane
CID 142311064
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390

Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate (CID 10619808) is methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate is COC(=O)c1cc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)ccc1O.
What is the InChIKey of methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate?
The InChIKey is BNGJNIAFTRCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4/c1-27-20(26)15-8-12(4-7-18(15)24)14-9-17(23-19(25)16(14)10-22)11-2-5-13(21)6-3-11/h2-9,24H,1H3,(H,23,25).
What are the key properties of methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate?
methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate has a molecular weight of 380.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate is sourced from PubChem (CID 10619808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).