5-chloroquinoxaline

C8H5ClN2 — CID 596285

IUPAC5-chloroquinoxaline
SMILESClc1cccc2nccnc12
InChIInChI=1S/C8H5ClN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H
InChIKeyOKPVFVMARCHULN-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 5-chloroquinoxaline

5-chloroquinoxaline (PubChem CID 596285) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 5-chloroquinoxaline.

Molecular Properties

Compound Name5-chloroquinoxaline
PubChem CID596285
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name5-chloroquinoxaline
SMILESClc1cccc2nccnc12
InChIInChI=1S/C8H5ClN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H
InChIKeyOKPVFVMARCHULN-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxaline
CID 7045
2,3,6-Trichloroquinoxaline
CID 18070
2-Methylquinoxaline
CID 23686
2-Tribromomethylquinoxaline
CID 96377
2-Chloroquinoxaline
CID 238938
6-Chloroquinoxaline
CID 79534
2,6-Dichloroquinoxaline
CID 87748
6-Chloro-2,3-dimethylquinoxaline
CID 236280
2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinoxaline
CID 5714039
2-(4-Chlorophenyl)quinoxaline
CID 754124
2-Quinoxalineacetonitrile
CID 290794
2-(Trifluoromethyl)quinoxaline
CID 10352693

Frequently Asked Questions

What is the IUPAC name of 5-chloroquinoxaline?
The IUPAC name of 5-chloroquinoxaline (CID 596285) is 5-chloroquinoxaline.
What is the SMILES notation for 5-chloroquinoxaline?
The canonical SMILES for 5-chloroquinoxaline is Clc1cccc2nccnc12.
What is the InChIKey of 5-chloroquinoxaline?
The InChIKey is OKPVFVMARCHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H.
What are the key properties of 5-chloroquinoxaline?
5-chloroquinoxaline has a molecular weight of 164.59 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinoxaline is sourced from PubChem (CID 596285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).