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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Related Compounds

methyl 5-[1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 102564931
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 102565052
methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
CID 124850033
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 102564818
methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917716
methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 124917794
methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124850413
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
methyl 5-[3-amino-1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110207479
methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110204399
methyl (3S)-3-(3-hydroxyphenyl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 96557762
methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917815

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).