3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

C13H9Cl2N3O2 — CID 79349746

IUPAC3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cncc(Cl)c3)c(Cl)cc21
InChIInChI=1S/C13H9Cl2N3O2/c14-6-1-7(5-17-4-6)20-11-3-10-8(2-9(11)15)12(16)13(19)18-10/h1-5,12H,16H2,(H,18,19)
InChIKeyJEEHXLDNTRRQAC-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.13
Rot. Bonds2

About 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one

3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (PubChem CID 79349746) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
PubChem CID79349746
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cncc(Cl)c3)c(Cl)cc21
InChIInChI=1S/C13H9Cl2N3O2/c14-6-1-7(5-17-4-6)20-11-3-10-8(2-9(11)15)12(16)13(19)18-10/h1-5,12H,16H2,(H,18,19)
InChIKeyJEEHXLDNTRRQAC-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one (CID 79349746) is 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cncc(Cl)c3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is JEEHXLDNTRRQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-6-1-7(5-17-4-6)20-11-3-10-8(2-9(11)15)12(16)13(19)18-10/h1-5,12H,16H2,(H,18,19).
What are the key properties of 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 310.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).