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

C18H14ClFN2O3 — CID 70283281

IUPAC[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1F
InChIInChI=1S/C18H14ClFN2O3/c1-3-10-6-7-21-15(14(10)20)17(24)16-18(25-9(2)23)12-8-11(19)4-5-13(12)22-16/h4-8,22H,3H2,1-2H3
InChIKeyHQGYDUYLKGQANA-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.07
Rot. Bonds4

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

[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate (PubChem CID 70283281) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate
PubChem CID70283281
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1F
InChIInChI=1S/C18H14ClFN2O3/c1-3-10-6-7-21-15(14(10)20)17(24)16-18(25-9(2)23)12-8-11(19)4-5-13(12)22-16/h4-8,22H,3H2,1-2H3
InChIKeyHQGYDUYLKGQANA-UHFFFAOYSA-N
XLogP4.07
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.07
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-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The IUPAC name of [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate (CID 70283281) is [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate.
What is the SMILES notation for [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The canonical SMILES for [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate is CCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2OC(C)=O)c1F.
What is the InChIKey of [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate?
The InChIKey is HQGYDUYLKGQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-3-10-6-7-21-15(14(10)20)17(24)16-18(25-9(2)23)12-8-11(19)4-5-13(12)22-16/h4-8,22H,3H2,1-2H3.
What are the key properties of [5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate?
[5-chloro-2-(4-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate has a molecular weight of 360.77 g/mol, XLogP of 4.07, 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-ethyl-3-fluoropyridine-2-carbonyl)-1H-indol-3-yl] acetate is sourced from PubChem (CID 70283281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).