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

C12H7ClFN3O3 — CID 61358698

IUPAC4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1
InChIInChI=1S/C12H7ClFN3O3/c1-5-15-16-8(20-5)4-17-10-7(14)3-2-6(13)9(10)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyORZHCWTYQJUOQD-UHFFFAOYSA-N
MW295.66 g/mol
LogP1.90
Rot. Bonds2

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

4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 61358698) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID61358698
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC Name4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1
InChIInChI=1S/C12H7ClFN3O3/c1-5-15-16-8(20-5)4-17-10-7(14)3-2-6(13)9(10)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyORZHCWTYQJUOQD-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 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (CID 61358698) is 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is Cc1nnc(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)o1.
What is the InChIKey of 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is ORZHCWTYQJUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c1-5-15-16-8(20-5)4-17-10-7(14)3-2-6(13)9(10)11(18)12(17)19/h2-3H,4H2,1H3.
What are the key properties of 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
4-chloro-7-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 4-chloro-7-fluoro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61358698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).