4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride

C15H13ClFNO3 — CID 163971498

IUPAC4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride
SMILESCCOc1ccn(-c2ccc(C)cc2F)c(=O)c1C(=O)Cl
InChIInChI=1S/C15H13ClFNO3/c1-3-21-12-6-7-18(15(20)13(12)14(16)19)11-5-4-9(2)8-10(11)17/h4-8H,3H2,1-2H3
InChIKeySQJCBYMARHGHDF-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.06
Rot. Bonds4

About 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride

4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride (PubChem CID 163971498) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride
PubChem CID163971498
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride
SMILESCCOc1ccn(-c2ccc(C)cc2F)c(=O)c1C(=O)Cl
InChIInChI=1S/C15H13ClFNO3/c1-3-21-12-6-7-18(15(20)13(12)14(16)19)11-5-4-9(2)8-10(11)17/h4-8H,3H2,1-2H3
InChIKeySQJCBYMARHGHDF-UHFFFAOYSA-N
XLogP3.06
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-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-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
ethyl 1-(2-fluoro-4-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63951418
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate
CID 67467540

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride?
The IUPAC name of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride (CID 163971498) is 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride.
What is the SMILES notation for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride?
The canonical SMILES for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride is CCOc1ccn(-c2ccc(C)cc2F)c(=O)c1C(=O)Cl.
What is the InChIKey of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride?
The InChIKey is SQJCBYMARHGHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-3-21-12-6-7-18(15(20)13(12)14(16)19)11-5-4-9(2)8-10(11)17/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride?
4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride has a molecular weight of 309.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-2-oxopyridine-3-carbonyl chloride is sourced from PubChem (CID 163971498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).