6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride

C16H16ClNO3 — CID 82518972

IUPAC6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
SMILESCCCn1c(-c2ccccc2OC)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-10-18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-2/h4-9H,3,10H2,1-2H3
InChIKeyIHRHUWXPSOCEMT-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.31
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride

6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride (PubChem CID 82518972) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
PubChem CID82518972
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
SMILESCCCn1c(-c2ccccc2OC)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-10-18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-2/h4-9H,3,10H2,1-2H3
InChIKeyIHRHUWXPSOCEMT-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
CID 82518988
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride?
The IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride (CID 82518972) is 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride?
The canonical SMILES for 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride is CCCn1c(-c2ccccc2OC)ccc(C(=O)Cl)c1=O.
What is the InChIKey of 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride?
The InChIKey is IHRHUWXPSOCEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-3-10-18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride?
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride is sourced from PubChem (CID 82518972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).