2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione

C15H11BrN2O2 — CID 134217108

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1cc(Br)cnc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11BrN2O2/c1-9-6-10(16)7-17-13(9)8-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8H2,1H3
InChIKeyIPYJWAYCQIGYKM-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.95
Rot. Bonds2

About 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione

2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione (PubChem CID 134217108) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
PubChem CID134217108
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
SMILESCc1cc(Br)cnc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11BrN2O2/c1-9-6-10(16)7-17-13(9)8-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8H2,1H3
InChIKeyIPYJWAYCQIGYKM-UHFFFAOYSA-N
XLogP2.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[(5-chloro-2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
CID 66960207
2-(5-bromo-3-methyl-2-pyridinyl)-4H-isoquinoline-1,3-dione
CID 83170627
2-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylbenzonitrile
CID 10641894
2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
CID 15843092
2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
CID 126469357
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[4-(5-bromo-2-methylphenoxy)butyl]isoindole-1,3-dione
CID 155920684
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
CID 19775949
2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
CID 168516145

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione (CID 134217108) is 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione is Cc1cc(Br)cnc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione?
The InChIKey is IPYJWAYCQIGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-6-10(16)7-17-13(9)8-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione?
2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione has a molecular weight of 331.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 134217108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).