5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione

C12H7ClFN3O3 — CID 79335874

IUPAC5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)o1
InChIInChI=1S/C12H7ClFN3O3/c1-5-15-16-10(20-5)4-17-9-3-8(14)7(13)2-6(9)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyGHQFYQUJLNAKAR-UHFFFAOYSA-N
MW295.66 g/mol
LogP1.90
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione

5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 79335874) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID79335874
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC Name5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)o1
InChIInChI=1S/C12H7ClFN3O3/c1-5-15-16-10(20-5)4-17-9-3-8(14)7(13)2-6(9)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyGHQFYQUJLNAKAR-UHFFFAOYSA-N
XLogP1.90
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 51.90
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 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (CID 79335874) is 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is Cc1nnc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)o1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is GHQFYQUJLNAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c1-5-15-16-10(20-5)4-17-9-3-8(14)7(13)2-6(9)11(18)12(17)19/h2-3H,4H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 295.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79335874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).