2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

C10H5BrCl2N2O4 — CID 19958630

IUPAC2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Br)c21
InChIInChI=1S/C10H5BrCl2N2O4/c11-6-7(13)3(12)1-4-8(6)15(2-5(16)17)10(19)9(18)14-4/h1H,2H2,(H,14,18)(H,16,17)
InChIKeyDRNHVLDUGSWXBW-UHFFFAOYSA-N
MW367.97 g/mol
LogP1.84
Rot. Bonds2

About 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (PubChem CID 19958630) has the molecular formula C10H5BrCl2N2O4 and a molecular weight of 367.97 g/mol. Its IUPAC name is 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
PubChem CID19958630
Molecular FormulaC10H5BrCl2N2O4
Molecular Weight367.97 g/mol
Exact Mass365.88
IUPAC Name2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Br)c21
InChIInChI=1S/C10H5BrCl2N2O4/c11-6-7(13)3(12)1-4-8(6)15(2-5(16)17)10(19)9(18)14-4/h1H,2H2,(H,14,18)(H,16,17)
InChIKeyDRNHVLDUGSWXBW-UHFFFAOYSA-N
XLogP1.84
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (CID 19958630) is 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is O=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Br)c21.
What is the InChIKey of 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The InChIKey is DRNHVLDUGSWXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O4/c11-6-7(13)3(12)1-4-8(6)15(2-5(16)17)10(19)9(18)14-4/h1H,2H2,(H,14,18)(H,16,17).
What are the key properties of 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid has a molecular weight of 367.97 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 19958630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).