[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate

C15H14ClNO3 — CID 174450556

IUPAC[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cn(C)c(=O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-3-15(19)20-13-9-17(2)14(18)8-12(13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3
InChIKeyQHUIKWGGJVBBPP-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.02
Rot. Bonds3

About [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate

[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate (PubChem CID 174450556) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate
PubChem CID174450556
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1cn(C)c(=O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-3-15(19)20-13-9-17(2)14(18)8-12(13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3
InChIKeyQHUIKWGGJVBBPP-UHFFFAOYSA-N
XLogP3.02
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate?
The IUPAC name of [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate (CID 174450556) is [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate.
What is the SMILES notation for [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate?
The canonical SMILES for [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate is CCC(=O)Oc1cn(C)c(=O)cc1-c1cccc(Cl)c1.
What is the InChIKey of [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate?
The InChIKey is QHUIKWGGJVBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-3-15(19)20-13-9-17(2)14(18)8-12(13)10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate?
[4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate has a molecular weight of 291.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate is sourced from PubChem (CID 174450556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).