4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one

C13H9BrClN3O — CID 43689978

IUPAC4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1Nc1cccnc1Cl
InChIInChI=1S/C13H9BrClN3O/c14-7-3-1-4-8-10(7)11(13(19)18-8)17-9-5-2-6-16-12(9)15/h1-6,11,17H,(H,18,19)
InChIKeyWHWCODNWWWRMIX-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.60
Rot. Bonds2

About 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one

4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43689978) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one
PubChem CID43689978
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1Nc1cccnc1Cl
InChIInChI=1S/C13H9BrClN3O/c14-7-3-1-4-8-10(7)11(13(19)18-8)17-9-5-2-6-16-12(9)15/h1-6,11,17H,(H,18,19)
InChIKeyWHWCODNWWWRMIX-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one (CID 43689978) is 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one is O=C1Nc2cccc(Br)c2C1Nc1cccnc1Cl.
What is the InChIKey of 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is WHWCODNWWWRMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-7-3-1-4-8-10(7)11(13(19)18-8)17-9-5-2-6-16-12(9)15/h1-6,11,17H,(H,18,19).
What are the key properties of 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 338.59 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43689978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).