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

C13H7Cl2N3O2 — CID 103054531

IUPAC7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnc(Cl)cn2)c2c(Cl)cccc21
InChIInChI=1S/C13H7Cl2N3O2/c14-9-3-1-2-8-11(9)18(13(20)12(8)19)6-7-4-17-10(15)5-16-7/h1-5H,6H2
InChIKeyGIIFSRVOAMGQIZ-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.51
Rot. Bonds2

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

7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione (PubChem CID 103054531) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione
PubChem CID103054531
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cnc(Cl)cn2)c2c(Cl)cccc21
InChIInChI=1S/C13H7Cl2N3O2/c14-9-3-1-2-8-11(9)18(13(20)12(8)19)6-7-4-17-10(15)5-16-7/h1-5H,6H2
InChIKeyGIIFSRVOAMGQIZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione (CID 103054531) is 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cnc(Cl)cn2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione?
The InChIKey is GIIFSRVOAMGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-9-3-1-2-8-11(9)18(13(20)12(8)19)6-7-4-17-10(15)5-16-7/h1-5H,6H2.
What are the key properties of 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione?
7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione has a molecular weight of 308.12 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(5-chloropyrazin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 103054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).