3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one

C13H10ClN3O2 — CID 79348951

IUPAC3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21
InChIInChI=1S/C13H10ClN3O2/c14-9-4-8-10(17-13(18)12(8)15)5-11(9)19-7-2-1-3-16-6-7/h1-6,12H,15H2,(H,17,18)
InChIKeyXTXWIKNJYQCGAP-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one

3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one (PubChem CID 79348951) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
PubChem CID79348951
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21
InChIInChI=1S/C13H10ClN3O2/c14-9-4-8-10(17-13(18)12(8)15)5-11(9)19-7-2-1-3-16-6-7/h1-6,12H,15H2,(H,17,18)
InChIKeyXTXWIKNJYQCGAP-UHFFFAOYSA-N
XLogP2.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-5-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
CID 172654621
(3Z)-5-chloro-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
CID 178269569
4-[2-(5-Chloro-pyridin-3-yloxy)-ethyl]-1,3-dihydro-indol-2-one
CID 9925982
3-Amino-5-chloro-3-(2-ethoxypyridin-3-yl)-1,3-dihydroindol-2-one
CID 67087991
(S)-3-(1-aminoethyl)-6-chloro-7-(pyridine-2-ylmethoxy)quinolin-2-(1H)-one
CID 118953623
3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953625
3-(1-aminoethyl)-6-chloro-7-(pyridin-2-ylmethoxy)quinolin-2(1H)-one hydrochloride
CID 118953721
3-[(1S)-1-aminoethyl]-6-chloro-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
CID 118953728
3-((S)-1-aminoethyl)-6-chloro-7-((R)-1-(pyridin-2-yl)ethoxy)quinolin-2(1H)-one hydrochloride
CID 118953782
3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]benzamide
CID 118955636
3-[2-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethylamino]benzamide
CID 118956645
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 129034649

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one (CID 79348951) is 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cccnc3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
The InChIKey is XTXWIKNJYQCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-9-4-8-10(17-13(18)12(8)15)5-11(9)19-7-2-1-3-16-6-7/h1-6,12H,15H2,(H,17,18).
What are the key properties of 3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-pyridin-3-yloxy-1,3-dihydroindol-2-one has a molecular weight of 275.69 g/mol, XLogP of 2.48, 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-pyridin-3-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).