7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione

C12H7BrFN3O3 — CID 61354943

IUPAC7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1
InChIInChI=1S/C12H7BrFN3O3/c1-5-15-9(20-16-5)4-17-10-7(11(18)12(17)19)2-6(14)3-8(10)13/h2-3H,4H2,1H3
InChIKeyZXMIJEMIVQKOMC-UHFFFAOYSA-N
MW340.11 g/mol
LogP2.01
Rot. Bonds2

About 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione

7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61354943) has the molecular formula C12H7BrFN3O3 and a molecular weight of 340.11 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
PubChem CID61354943
Molecular FormulaC12H7BrFN3O3
Molecular Weight340.11 g/mol
Exact Mass338.97
IUPAC Name7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1
InChIInChI=1S/C12H7BrFN3O3/c1-5-15-9(20-16-5)4-17-10-7(11(18)12(17)19)2-6(14)3-8(10)13/h2-3H,4H2,1H3
InChIKeyZXMIJEMIVQKOMC-UHFFFAOYSA-N
XLogP2.01
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (CID 61354943) is 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is Cc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1.
What is the InChIKey of 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is ZXMIJEMIVQKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O3/c1-5-15-9(20-16-5)4-17-10-7(11(18)12(17)19)2-6(14)3-8(10)13/h2-3H,4H2,1H3.
What are the key properties of 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 340.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61354943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).