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

C14H11BrClN3O2 — CID 79344673

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21
InChIInChI=1S/C14H11BrClN3O2/c1-17-13-9-3-10(16)12(4-11(9)19-14(13)20)21-8-2-7(15)5-18-6-8/h2-6,13,17H,1H3,(H,19,20)
InChIKeyCFGVSFCBIHMAJV-UHFFFAOYSA-N
MW368.62 g/mol
LogP3.50
Rot. Bonds3

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

6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79344673) has the molecular formula C14H11BrClN3O2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79344673
Molecular FormulaC14H11BrClN3O2
Molecular Weight368.62 g/mol
Exact Mass366.97
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21
InChIInChI=1S/C14H11BrClN3O2/c1-17-13-9-3-10(16)12(4-11(9)19-14(13)20)21-8-2-7(15)5-18-6-8/h2-6,13,17H,1H3,(H,19,20)
InChIKeyCFGVSFCBIHMAJV-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one (CID 79344673) is 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3cncc(Br)c3)c(Cl)cc21.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is CFGVSFCBIHMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O2/c1-17-13-9-3-10(16)12(4-11(9)19-14(13)20)21-8-2-7(15)5-18-6-8/h2-6,13,17H,1H3,(H,19,20).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one?
6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 368.62 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)oxy]-5-chloro-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).