methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate

C17H18ClNO3 — CID 59487416

IUPACmethyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)OC
InChIInChI=1S/C17H18ClNO3/c1-4-13-16(17(20)21-3)15(22-5-2)10-14(19-13)11-6-8-12(18)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyFHCNGCUSXPICRD-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.15
Rot. Bonds5

About methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate

methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate (PubChem CID 59487416) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate
PubChem CID59487416
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Namemethyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)OC
InChIInChI=1S/C17H18ClNO3/c1-4-13-16(17(20)21-3)15(22-5-2)10-14(19-13)11-6-8-12(18)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyFHCNGCUSXPICRD-UHFFFAOYSA-N
XLogP4.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487345
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
methyl 3-[[2-(4-chlorophenyl)-4-ethoxyquinolin-6-yl]carbamoylamino]thiophene-2-carboxylate
CID 50827679
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
CID 46269866
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
CID 69318370
ethyl 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylate
CID 70260274

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate (CID 59487416) is methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate is CCOc1cc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)OC.
What is the InChIKey of methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate?
The InChIKey is FHCNGCUSXPICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-4-13-16(17(20)21-3)15(22-5-2)10-14(19-13)11-6-8-12(18)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate?
methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate has a molecular weight of 319.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 59487416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).