[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate

C16H11ClN2O3 — CID 70285097

IUPAC[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate
SMILESCC(=O)Oc1c(C(=O)c2cccnc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2O3/c1-9(20)22-16-12-5-4-11(17)7-13(12)19-14(16)15(21)10-3-2-6-18-8-10/h2-8,19H,1H3
InChIKeyNIGXYXPDVOENCP-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.37
Rot. Bonds3

About [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate

[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate (PubChem CID 70285097) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate
PubChem CID70285097
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate
SMILESCC(=O)Oc1c(C(=O)c2cccnc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2O3/c1-9(20)22-16-12-5-4-11(17)7-13(12)19-14(16)15(21)10-3-2-6-18-8-10/h2-8,19H,1H3
InChIKeyNIGXYXPDVOENCP-UHFFFAOYSA-N
XLogP3.37
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate?
The IUPAC name of [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate (CID 70285097) is [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate.
What is the SMILES notation for [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate?
The canonical SMILES for [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate is CC(=O)Oc1c(C(=O)c2cccnc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate?
The InChIKey is NIGXYXPDVOENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-9(20)22-16-12-5-4-11(17)7-13(12)19-14(16)15(21)10-3-2-6-18-8-10/h2-8,19H,1H3.
What are the key properties of [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate?
[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate has a molecular weight of 314.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate is sourced from PubChem (CID 70285097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).