3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline

C12H6Cl4N2 — CID 121000676

IUPAC3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
SMILESClc1ccn2c1cnc1c(C(Cl)(Cl)Cl)cccc12
InChIInChI=1S/C12H6Cl4N2/c13-8-4-5-18-9-3-1-2-7(12(14,15)16)11(9)17-6-10(8)18/h1-6H
InChIKeyQNBMXAHCKKAJEP-UHFFFAOYSA-N
MW320.01 g/mol
LogP4.97
Rot. Bonds

About 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline

3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline (PubChem CID 121000676) has the molecular formula C12H6Cl4N2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
PubChem CID121000676
Molecular FormulaC12H6Cl4N2
Molecular Weight320.01 g/mol
Exact Mass317.93
IUPAC Name3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline
SMILESClc1ccn2c1cnc1c(C(Cl)(Cl)Cl)cccc12
InChIInChI=1S/C12H6Cl4N2/c13-8-4-5-18-9-3-1-2-7(12(14,15)16)11(9)17-6-10(8)18/h1-6H
InChIKeyQNBMXAHCKKAJEP-UHFFFAOYSA-N
XLogP4.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
8-chloro-3-methylimidazo[1,5-a]pyridine
CID 117147086
ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate
CID 68788329
2,3-dichloro-8-(trichloromethyl)quinoline
CID 174740506
1-chloro-2-(trichloromethyl)benzene
CID 16494
8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210
4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158606
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
8-chloro-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 117147179
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
CID 174235429
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
8-chloro-3-(1-propan-2-ylpiperidin-2-yl)imidazo[1,5-a]pyridine
CID 117146603

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline (CID 121000676) is 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline is Clc1ccn2c1cnc1c(C(Cl)(Cl)Cl)cccc12.
What is the InChIKey of 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is QNBMXAHCKKAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N2/c13-8-4-5-18-9-3-1-2-7(12(14,15)16)11(9)17-6-10(8)18/h1-6H.
What are the key properties of 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline?
3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 320.01 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(trichloromethyl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 121000676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).