methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate

C19H14ClNO3 — CID 69418079

IUPACmethyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C19H14ClNO3/c1-24-19(23)16-11-15(12-5-3-2-4-6-12)17(21-18(16)22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKeyIUZSRSFHDPNQRC-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.15
Rot. Bonds3

About methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate

methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate (PubChem CID 69418079) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
PubChem CID69418079
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Namemethyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C19H14ClNO3/c1-24-19(23)16-11-15(12-5-3-2-4-6-12)17(21-18(16)22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKeyIUZSRSFHDPNQRC-UHFFFAOYSA-N
XLogP4.15
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate (CID 69418079) is methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is IUZSRSFHDPNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-24-19(23)16-11-15(12-5-3-2-4-6-12)17(21-18(16)22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22).
What are the key properties of methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate?
methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 339.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69418079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).