3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride

C16H16ClNO3 — CID 82518112

IUPAC3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOc1ccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)cc1
InChIInChI=1S/C16H16ClNO3/c1-18-14(11-3-7-13(21-2)8-4-11)9-5-12(16(18)20)6-10-15(17)19/h3-5,7-9H,6,10H2,1-2H3
InChIKeyNRLWFKRDSJCCSS-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.76
Rot. Bonds5

About 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride

3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride (PubChem CID 82518112) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
PubChem CID82518112
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOc1ccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)cc1
InChIInChI=1S/C16H16ClNO3/c1-18-14(11-3-7-13(21-2)8-4-11)9-5-12(16(18)20)6-10-15(17)19/h3-5,7-9H,6,10H2,1-2H3
InChIKeyNRLWFKRDSJCCSS-UHFFFAOYSA-N
XLogP2.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-[1-methyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82520912
3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518575
3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283
3-[5-(3-chloro-3-oxopropyl)-1-methylpyrrol-2-yl]propanoyl chloride
CID 101056128
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 2233894

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The IUPAC name of 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride (CID 82518112) is 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The canonical SMILES for 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride is COc1ccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The InChIKey is NRLWFKRDSJCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-18-14(11-3-7-13(21-2)8-4-11)9-5-12(16(18)20)6-10-15(17)19/h3-5,7-9H,6,10H2,1-2H3.
What are the key properties of 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride is sourced from PubChem (CID 82518112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).