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

C13H9BrClN3O2 — CID 79349656

IUPAC3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21
InChIInChI=1S/C13H9BrClN3O2/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)
InChIKeyDQGLZWRGZADCGZ-UHFFFAOYSA-N
MW354.59 g/mol
LogP3.24
Rot. Bonds2

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

3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one (PubChem CID 79349656) has the molecular formula C13H9BrClN3O2 and a molecular weight of 354.59 g/mol. Its IUPAC name is 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one
PubChem CID79349656
Molecular FormulaC13H9BrClN3O2
Molecular Weight354.59 g/mol
Exact Mass352.96
IUPAC Name3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21
InChIInChI=1S/C13H9BrClN3O2/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)
InChIKeyDQGLZWRGZADCGZ-UHFFFAOYSA-N
XLogP3.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 55184082
3-Amino-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 55185169
3-(Propylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 63369707
3-(Methylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 63369717
3-(Ethylamino)-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
CID 63369718
3-(Methylamino)-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 63369937
3-Amino-6-[(5-bromo-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 64205487
6-[(5-Bromo-3-pyridinyl)oxy]-3-(methylamino)-1,3-dihydroindol-2-one
CID 64205904
6-[(5-Bromo-3-pyridinyl)oxy]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 64206312
5-Amino-6-[(5-bromo-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 64206458
6-[(5-Chloro-3-pyridinyl)oxy]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 64600025
3-Amino-6-[(5-chloro-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 64600222

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one (CID 79349656) is 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21.
What is the InChIKey of 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is DQGLZWRGZADCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O2/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-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one?
3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 354.59 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).