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

C16H16ClNO3 — CID 82518575

IUPAC3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOc1cccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)c1
InChIInChI=1S/C16H16ClNO3/c1-18-14(12-4-3-5-13(10-12)21-2)8-6-11(16(18)20)7-9-15(17)19/h3-6,8,10H,7,9H2,1-2H3
InChIKeyMVCBOTRJWLXEQW-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.76
Rot. Bonds5

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

3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride (PubChem CID 82518575) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride.

Molecular Properties

Compound Name3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
PubChem CID82518575
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOc1cccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)c1
InChIInChI=1S/C16H16ClNO3/c1-18-14(12-4-3-5-13(10-12)21-2)8-6-11(16(18)20)7-9-15(17)19/h3-6,8,10H,7,9H2,1-2H3
InChIKeyMVCBOTRJWLXEQW-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-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518112
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
CID 13062966
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The IUPAC name of 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride (CID 82518575) is 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride.
What is the SMILES notation for 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The canonical SMILES for 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride is COc1cccc(-c2ccc(CCC(=O)Cl)c(=O)n2C)c1.
What is the InChIKey of 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
The InChIKey is MVCBOTRJWLXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-18-14(12-4-3-5-13(10-12)21-2)8-6-11(16(18)20)7-9-15(17)19/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride?
3-[6-(3-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-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride is sourced from PubChem (CID 82518575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).