2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide

C13H10BrCl2N3 — CID 44667802

IUPAC2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3.BrH/c14-9-5-11(15)13(17-6-9)18-7-8-3-1-2-4-10(8)12(18)16;/h1-6,16H,7H2;1H/b16-12+;
InChIKeyDSGPXHGRSFXNJW-CLNHMMGSSA-N
MW359.05 g/mol
LogP4.31
Rot. Bonds1

About 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide

2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 44667802) has the molecular formula C13H10BrCl2N3 and a molecular weight of 359.05 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide
PubChem CID44667802
Molecular FormulaC13H10BrCl2N3
Molecular Weight359.05 g/mol
Exact Mass356.94
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2N3.BrH/c14-9-5-11(15)13(17-6-9)18-7-8-3-1-2-4-10(8)12(18)16;/h1-6,16H,7H2;1H/b16-12+;
InChIKeyDSGPXHGRSFXNJW-CLNHMMGSSA-N
XLogP4.31
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide (CID 44667802) is 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is DSGPXHGRSFXNJW-CLNHMMGSSA-N. The full InChI is InChI=1S/C13H9Cl2N3.BrH/c14-9-5-11(15)13(17-6-9)18-7-8-3-1-2-4-10(8)12(18)16;/h1-6,16H,7H2;1H/b16-12+;.
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide?
2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 359.05 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 44667802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).