2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride

C16H16ClNO3 — CID 82518551

IUPAC2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
SMILESCCn1c(-c2cccc(OC)c2)ccc(CC(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-18-14(11-5-4-6-13(9-11)21-2)8-7-12(16(18)20)10-15(17)19/h4-9H,3,10H2,1-2H3
InChIKeyYHIAGNAWUQZFOK-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride

2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride (PubChem CID 82518551) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride.

Molecular Properties

Compound Name2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
PubChem CID82518551
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
SMILESCCn1c(-c2cccc(OC)c2)ccc(CC(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-18-14(11-5-4-6-13(9-11)21-2)8-7-12(16(18)20)10-15(17)19/h4-9H,3,10H2,1-2H3
InChIKeyYHIAGNAWUQZFOK-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
3-[6-(3-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82518575
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
CID 118668081
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride?
The IUPAC name of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride (CID 82518551) is 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride.
What is the SMILES notation for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride?
The canonical SMILES for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride is CCn1c(-c2cccc(OC)c2)ccc(CC(=O)Cl)c1=O.
What is the InChIKey of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride?
The InChIKey is YHIAGNAWUQZFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-3-18-14(11-5-4-6-13(9-11)21-2)8-7-12(16(18)20)10-15(17)19/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride?
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride is sourced from PubChem (CID 82518551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).