6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride

C16H16ClNO3 — CID 82518988

IUPAC6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
SMILESCOc1ccccc1-c1ccc(C(=O)Cl)c(=O)n1C(C)C
InChIInChI=1S/C16H16ClNO3/c1-10(2)18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-3/h4-10H,1-3H3
InChIKeyCCEDWHBXNIBTAU-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.48
Rot. Bonds4

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

6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride (PubChem CID 82518988) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
PubChem CID82518988
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
SMILESCOc1ccccc1-c1ccc(C(=O)Cl)c(=O)n1C(C)C
InChIInChI=1S/C16H16ClNO3/c1-10(2)18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-3/h4-10H,1-3H3
InChIKeyCCEDWHBXNIBTAU-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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

6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
CID 82518930
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
3-amino-6-[2-(2-methylpropoxy)phenyl]-1-propan-2-ylpyridin-2-one
CID 82467021
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
2-propan-2-yloxybenzoyl chloride
CID 15921914
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
3-chloro-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110583845
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride?
The IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride (CID 82518988) is 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride?
The canonical SMILES for 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride is COc1ccccc1-c1ccc(C(=O)Cl)c(=O)n1C(C)C.
What is the InChIKey of 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride?
The InChIKey is CCEDWHBXNIBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10(2)18-13(9-8-12(15(17)19)16(18)20)11-6-4-5-7-14(11)21-3/h4-10H,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride?
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 3.48, 4 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-propan-2-ylpyridine-3-carbonyl chloride is sourced from PubChem (CID 82518988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).