methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C17H16ClNO6 — CID 91821071

IUPACmethyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)CC(c1cccc(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C17H16ClNO6/c1-24-13(20)7-11(9-4-3-5-10(18)6-9)14-15(21)12(17(23)25-2)8-19-16(14)22/h3-6,8,11H,7H2,1-2H3,(H2,19,21,22)
InChIKeyRHEWDPFNPHVEKZ-UHFFFAOYSA-N
MW365.77 g/mol
LogP2.22
Rot. Bonds5

About methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 91821071) has the molecular formula C17H16ClNO6 and a molecular weight of 365.77 g/mol. Its IUPAC name is methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID91821071
Molecular FormulaC17H16ClNO6
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Namemethyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)CC(c1cccc(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C17H16ClNO6/c1-24-13(20)7-11(9-4-3-5-10(18)6-9)14-15(21)12(17(23)25-2)8-19-16(14)22/h3-6,8,11H,7H2,1-2H3,(H2,19,21,22)
InChIKeyRHEWDPFNPHVEKZ-UHFFFAOYSA-N
XLogP2.22
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 91821071) is methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)CC(c1cccc(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O.
What is the InChIKey of methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is RHEWDPFNPHVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO6/c1-24-13(20)7-11(9-4-3-5-10(18)6-9)14-15(21)12(17(23)25-2)8-19-16(14)22/h3-6,8,11H,7H2,1-2H3,(H2,19,21,22).
What are the key properties of methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 365.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 91821071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).