1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione

C16H13BrN2O2 — CID 104798437

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1ccc(Br)cn1)C(=O)C2=O
InChIInChI=1S/C16H13BrN2O2/c1-9-3-6-13-14(10(9)2)19(16(21)15(13)20)8-12-5-4-11(17)7-18-12/h3-7H,8H2,1-2H3
InChIKeySNTLOEMKPDAVTJ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.19
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione

1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione (PubChem CID 104798437) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione
PubChem CID104798437
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1ccc(Br)cn1)C(=O)C2=O
InChIInChI=1S/C16H13BrN2O2/c1-9-3-6-13-14(10(9)2)19(16(21)15(13)20)8-12-5-4-11(17)7-18-12/h3-7H,8H2,1-2H3
InChIKeySNTLOEMKPDAVTJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356749
6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66141121
1-(3-chloropropyl)-6,7-dimethylindole-2,3-dione
CID 20502556
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
6,7-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357076
6,7-dimethyl-1-prop-2-enylindole-2,3-dione
CID 61355575
1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
CID 61356574
1-(3-bromo-2,2-dimethylpropyl)-6,7-dimethylindole-2,3-dione
CID 64994780
3-[(5-bromo-2-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104809320
6,7-dimethyl-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 61356078
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113455679
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione (CID 104798437) is 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione is Cc1ccc2c(c1C)N(Cc1ccc(Br)cn1)C(=O)C2=O.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione?
The InChIKey is SNTLOEMKPDAVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-9-3-6-13-14(10(9)2)19(16(21)15(13)20)8-12-5-4-11(17)7-18-12/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione?
1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione has a molecular weight of 345.20 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione is sourced from PubChem (CID 104798437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).