2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid

C16H14ClNO5 — CID 14075282

IUPAC2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)n(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C16H14ClNO5/c1-9-7-12(19)14(16(22)23-2)15(18(9)8-13(20)21)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXTZLBQYYFXGECM-UHFFFAOYSA-N
MW335.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid

2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid (PubChem CID 14075282) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid
PubChem CID14075282
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)n(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C16H14ClNO5/c1-9-7-12(19)14(16(22)23-2)15(18(9)8-13(20)21)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXTZLBQYYFXGECM-UHFFFAOYSA-N
XLogP2.35
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid (CID 14075282) is 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid is COC(=O)c1c(-c2ccc(Cl)cc2)n(CC(=O)O)c(C)cc1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is XTZLBQYYFXGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-9-7-12(19)14(16(22)23-2)15(18(9)8-13(20)21)10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid?
2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 335.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-methoxycarbonyl-6-methyl-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 14075282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).