[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate

C18H15ClN2O3 — CID 70285355

IUPAC[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1
InChIInChI=1S/C18H15ClN2O3/c1-3-11-6-7-20-15(8-11)17(23)16-18(24-10(2)22)13-9-12(19)4-5-14(13)21-16/h4-9,21H,3H2,1-2H3
InChIKeyHWOITJMUJRWNBM-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.93
Rot. Bonds4

About [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate

[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate (PubChem CID 70285355) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate
PubChem CID70285355
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1
InChIInChI=1S/C18H15ClN2O3/c1-3-11-6-7-20-15(8-11)17(23)16-18(24-10(2)22)13-9-12(19)4-5-14(13)21-16/h4-9,21H,3H2,1-2H3
InChIKeyHWOITJMUJRWNBM-UHFFFAOYSA-N
XLogP3.93
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The IUPAC name of [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate (CID 70285355) is [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate.
What is the SMILES notation for [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The canonical SMILES for [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate is CCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1.
What is the InChIKey of [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The InChIKey is HWOITJMUJRWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-3-11-6-7-20-15(8-11)17(23)16-18(24-10(2)22)13-9-12(19)4-5-14(13)21-16/h4-9,21H,3H2,1-2H3.
What are the key properties of [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate?
[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate has a molecular weight of 342.78 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate is sourced from PubChem (CID 70285355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).