5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione

C14H9BrClN3O2 — CID 114836563

IUPAC5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ncc(Cl)cc3Br)cc2C1=O
InChIInChI=1S/C14H9BrClN3O2/c1-19-13(20)9-3-2-8(5-10(9)14(19)21)18-12-11(15)4-7(16)6-17-12/h2-6H,1H3,(H,17,18)
InChIKeyYXVOCCISJJDVPI-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.47
Rot. Bonds2

About 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione

5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (PubChem CID 114836563) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
PubChem CID114836563
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ncc(Cl)cc3Br)cc2C1=O
InChIInChI=1S/C14H9BrClN3O2/c1-19-13(20)9-3-2-8(5-10(9)14(19)21)18-12-11(15)4-7(16)6-17-12/h2-6H,1H3,(H,17,18)
InChIKeyYXVOCCISJJDVPI-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (CID 114836563) is 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3ncc(Cl)cc3Br)cc2C1=O.
What is the InChIKey of 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The InChIKey is YXVOCCISJJDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c1-19-13(20)9-3-2-8(5-10(9)14(19)21)18-12-11(15)4-7(16)6-17-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione has a molecular weight of 366.60 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 114836563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).