(2,3-dichloroquinoxalin-5-yl) carbonochloridate

C9H3Cl3N2O2 — CID 88766186

IUPAC(2,3-dichloroquinoxalin-5-yl) carbonochloridate
SMILESO=C(Cl)Oc1cccc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C9H3Cl3N2O2/c10-7-8(11)14-6-4(13-7)2-1-3-5(6)16-9(12)15/h1-3H
InChIKeyZVACGCFSBZTSDP-UHFFFAOYSA-N
MW277.49 g/mol
LogP3.67
Rot. Bonds1

About (2,3-dichloroquinoxalin-5-yl) carbonochloridate

(2,3-dichloroquinoxalin-5-yl) carbonochloridate (PubChem CID 88766186) has the molecular formula C9H3Cl3N2O2 and a molecular weight of 277.49 g/mol. Its IUPAC name is (2,3-dichloroquinoxalin-5-yl) carbonochloridate.

Molecular Properties

Compound Name(2,3-dichloroquinoxalin-5-yl) carbonochloridate
PubChem CID88766186
Molecular FormulaC9H3Cl3N2O2
Molecular Weight277.49 g/mol
Exact Mass275.93
IUPAC Name(2,3-dichloroquinoxalin-5-yl) carbonochloridate
SMILESO=C(Cl)Oc1cccc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C9H3Cl3N2O2/c10-7-8(11)14-6-4(13-7)2-1-3-5(6)16-9(12)15/h1-3H
InChIKeyZVACGCFSBZTSDP-UHFFFAOYSA-N
XLogP3.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9-acetyloxyphenazin-1-yl) acetate
CID 611384
(6-methylphenazin-1-yl) acetate
CID 610919
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
acetic acid;1-methoxyphenazine
CID 174937212
(2-chloroquinolin-3-yl) acetate
CID 175423972
1,9-diethoxyphenazine
CID 71668489
phenazine-1-carbonyl chloride
CID 71668468
acetic acid;(2-aminophenyl) carbonochloridate
CID 175237733
2,3,5,6-tetrachloroquinoxaline
CID 22341137
(2,4-dichloroquinazolin-6-yl) carbonochloridate
CID 88765606
9H-fluoren-1-yl carbonochloridate
CID 57317054
(2-chloroquinolin-5-yl) 2,2-dimethylpropanoate
CID 142729394

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloroquinoxalin-5-yl) carbonochloridate?
The IUPAC name of (2,3-dichloroquinoxalin-5-yl) carbonochloridate (CID 88766186) is (2,3-dichloroquinoxalin-5-yl) carbonochloridate.
What is the SMILES notation for (2,3-dichloroquinoxalin-5-yl) carbonochloridate?
The canonical SMILES for (2,3-dichloroquinoxalin-5-yl) carbonochloridate is O=C(Cl)Oc1cccc2nc(Cl)c(Cl)nc12.
What is the InChIKey of (2,3-dichloroquinoxalin-5-yl) carbonochloridate?
The InChIKey is ZVACGCFSBZTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3N2O2/c10-7-8(11)14-6-4(13-7)2-1-3-5(6)16-9(12)15/h1-3H.
What are the key properties of (2,3-dichloroquinoxalin-5-yl) carbonochloridate?
(2,3-dichloroquinoxalin-5-yl) carbonochloridate has a molecular weight of 277.49 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloroquinoxalin-5-yl) carbonochloridate is sourced from PubChem (CID 88766186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).