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

C14H9BrClN3O2 — CID 103583037

IUPAC5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ncc(Br)cc3Cl)cc2C1=O
InChIInChI=1S/C14H9BrClN3O2/c1-19-13(20)9-3-2-8(5-10(9)14(19)21)18-12-11(16)4-7(15)6-17-12/h2-6H,1H3,(H,17,18)
InChIKeyZTAGNWROFHCCON-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.47
Rot. Bonds2

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

5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (PubChem CID 103583037) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
PubChem CID103583037
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ncc(Br)cc3Cl)cc2C1=O
InChIInChI=1S/C14H9BrClN3O2/c1-19-13(20)9-3-2-8(5-10(9)14(19)21)18-12-11(16)4-7(15)6-17-12/h2-6H,1H3,(H,17,18)
InChIKeyZTAGNWROFHCCON-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'}

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

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Related Compounds

5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 105367590
5-[(2-amino-5-bromopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 80749350
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
5-bromo-3-chloro-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 103582386
5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
CID 24693520
5-(3-aminoanilino)-2-methylisoindole-1,3-dione
CID 43132787
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione (CID 103583037) is 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3ncc(Br)cc3Cl)cc2C1=O.
What is the InChIKey of 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
The InChIKey is ZTAGNWROFHCCON-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(16)4-7(15)6-17-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione?
5-[(5-bromo-3-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-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 103583037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).