2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride

C16H16ClNO3 — CID 82517344

IUPAC2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
SMILESCOc1ccc(-c2ccc(CC(=O)Cl)c(=O)n2C)cc1C
InChIInChI=1S/C16H16ClNO3/c1-10-8-11(5-7-14(10)21-3)13-6-4-12(9-15(17)19)16(20)18(13)2/h4-8H,9H2,1-3H3
InChIKeyBLSVEQOPKPFPGA-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.68
Rot. Bonds4

About 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride

2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride (PubChem CID 82517344) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride.

Molecular Properties

Compound Name2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
PubChem CID82517344
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
SMILESCOc1ccc(-c2ccc(CC(=O)Cl)c(=O)n2C)cc1C
InChIInChI=1S/C16H16ClNO3/c1-10-8-11(5-7-14(10)21-3)13-6-4-12(9-15(17)19)16(20)18(13)2/h4-8H,9H2,1-3H3
InChIKeyBLSVEQOPKPFPGA-UHFFFAOYSA-N
XLogP2.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.68
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-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520136
3-[6-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518112
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518575
3-[1-methyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82520912
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213
6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82444501
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride?
The IUPAC name of 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride (CID 82517344) is 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride.
What is the SMILES notation for 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride?
The canonical SMILES for 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride is COc1ccc(-c2ccc(CC(=O)Cl)c(=O)n2C)cc1C.
What is the InChIKey of 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride?
The InChIKey is BLSVEQOPKPFPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-8-11(5-7-14(10)21-3)13-6-4-12(9-15(17)19)16(20)18(13)2/h4-8H,9H2,1-3H3.
What are the key properties of 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride?
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride is sourced from PubChem (CID 82517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).