ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate

C20H16ClNO3S — CID 118222210

IUPACethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1ccsc1C(=O)c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H16ClNO3S/c1-2-25-18(23)11-14-9-10-26-20(14)19(24)15-5-8-17(22-12-15)13-3-6-16(21)7-4-13/h3-10,12H,2,11H2,1H3
InChIKeyJZVJZUPIYGHTPF-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.80
Rot. Bonds6

About ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate

ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate (PubChem CID 118222210) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate
PubChem CID118222210
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC Nameethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1ccsc1C(=O)c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H16ClNO3S/c1-2-25-18(23)11-14-9-10-26-20(14)19(24)15-5-8-17(22-12-15)13-3-6-16(21)7-4-13/h3-10,12H,2,11H2,1H3
InChIKeyJZVJZUPIYGHTPF-UHFFFAOYSA-N
XLogP4.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate (CID 118222210) is ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate is CCOC(=O)Cc1ccsc1C(=O)c1ccc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate?
The InChIKey is JZVJZUPIYGHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-2-25-18(23)11-14-9-10-26-20(14)19(24)15-5-8-17(22-12-15)13-3-6-16(21)7-4-13/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate?
ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate has a molecular weight of 385.87 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[6-(4-chlorophenyl)pyridine-3-carbonyl]thiophen-3-yl]acetate is sourced from PubChem (CID 118222210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).