2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine

C16H7Cl7N6 — CID 157221918

IUPAC2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine
SMILESClc1cc2nc(Cl)c(Cl)nc2cc1Cl.NNc1nc2cc(Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C8H2Cl4N2.C8H5Cl3N4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;9-3-1-5-6(2-4(3)10)14-8(15-12)7(11)13-5/h1-2H;1-2H,12H2,(H,14,15)
InChIKeyATCBVQIAXQWBNG-UHFFFAOYSA-N
MW531.45 g/mol
LogP7.12
Rot. Bonds1

About 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine

2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine (PubChem CID 157221918) has the molecular formula C16H7Cl7N6 and a molecular weight of 531.45 g/mol. Its IUPAC name is 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine.

Molecular Properties

Compound Name2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine
PubChem CID157221918
Molecular FormulaC16H7Cl7N6
Molecular Weight531.45 g/mol
Exact Mass527.86
IUPAC Name2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine
SMILESClc1cc2nc(Cl)c(Cl)nc2cc1Cl.NNc1nc2cc(Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C8H2Cl4N2.C8H5Cl3N4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;9-3-1-5-6(2-4(3)10)14-8(15-12)7(11)13-5/h1-2H;1-2H,12H2,(H,14,15)
InChIKeyATCBVQIAXQWBNG-UHFFFAOYSA-N
XLogP7.12
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.45
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-6,7-dimethoxyquinoxalin-2-yl)hydrazine
CID 142406445
(3-chloro-7-methylquinoxalin-2-yl)hydrazine
CID 59320608
[6,7-dichloro-3-(trifluoromethyl)quinoxalin-2-yl]hydrazine
CID 3410226
(3,5,6-trichloro-2-pyridinyl)hydrazine;hydrochloride
CID 172553529
(3-hydrazinyl-6,7-dimethylquinoxalin-2-yl)hydrazine
CID 100828917
(3-chloro-7-methoxy-5-methylquinoxalin-2-yl)hydrazine
CID 142746256
7,8-dichloro-2,3-dihydrophenazine
CID 170554791
(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 103997017
3-chloro-N,7-dimethylquinoxalin-2-amine
CID 175634550
N-(3,4-dichlorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80926306
(5-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 107370736
2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
CID 86657925

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine?
The IUPAC name of 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine (CID 157221918) is 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine.
What is the SMILES notation for 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine?
The canonical SMILES for 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine is Clc1cc2nc(Cl)c(Cl)nc2cc1Cl.NNc1nc2cc(Cl)c(Cl)cc2nc1Cl.
What is the InChIKey of 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine?
The InChIKey is ATCBVQIAXQWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4N2.C8H5Cl3N4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5;9-3-1-5-6(2-4(3)10)14-8(15-12)7(11)13-5/h1-2H;1-2H,12H2,(H,14,15).
What are the key properties of 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine?
2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine has a molecular weight of 531.45 g/mol, XLogP of 7.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrachloroquinoxaline;(3,6,7-trichloroquinoxalin-2-yl)hydrazine is sourced from PubChem (CID 157221918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).