1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride

C15H14ClNO4 — CID 82419028

IUPAC1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
SMILESCOc1ccc(-n2cc(C(=O)Cl)c(=O)cc2C)cc1OC
InChIInChI=1S/C15H14ClNO4/c1-9-6-12(18)11(15(16)19)8-17(9)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3
InChIKeySMCXTUWTHSUILU-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride

1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride (PubChem CID 82419028) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
PubChem CID82419028
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
SMILESCOc1ccc(-n2cc(C(=O)Cl)c(=O)cc2C)cc1OC
InChIInChI=1S/C15H14ClNO4/c1-9-6-12(18)11(15(16)19)8-17(9)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3
InChIKeySMCXTUWTHSUILU-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420947
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138580198
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
ethyl 1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 658482
2-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988258
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride (CID 82419028) is 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride is COc1ccc(-n2cc(C(=O)Cl)c(=O)cc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The InChIKey is SMCXTUWTHSUILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9-6-12(18)11(15(16)19)8-17(9)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride has a molecular weight of 307.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride is sourced from PubChem (CID 82419028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).