7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline

C16H6Br2Cl3FN4 — CID 161459471

IUPAC7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline
SMILESClc1cnc2ccc(Br)c(Cl)c2n1.Fc1cnc2ccc(Br)c(Cl)c2n1
InChIInChI=1S/C8H3BrCl2N2.C8H3BrClFN2/c9-4-1-2-5-8(7(4)11)13-6(10)3-12-5;9-4-1-2-5-8(7(4)10)13-6(11)3-12-5/h2*1-3H
InChIKeyWBPIRXPKQULCPQ-UHFFFAOYSA-N
MW539.42 g/mol
LogP6.88
Rot. Bonds

About 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline

7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline (PubChem CID 161459471) has the molecular formula C16H6Br2Cl3FN4 and a molecular weight of 539.42 g/mol. Its IUPAC name is 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline.

Molecular Properties

Compound Name7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline
PubChem CID161459471
Molecular FormulaC16H6Br2Cl3FN4
Molecular Weight539.42 g/mol
Exact Mass535.80
IUPAC Name7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline
SMILESClc1cnc2ccc(Br)c(Cl)c2n1.Fc1cnc2ccc(Br)c(Cl)c2n1
InChIInChI=1S/C8H3BrCl2N2.C8H3BrClFN2/c9-4-1-2-5-8(7(4)11)13-6(10)3-12-5;9-4-1-2-5-8(7(4)10)13-6(11)3-12-5/h2*1-3H
InChIKeyWBPIRXPKQULCPQ-UHFFFAOYSA-N
XLogP6.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.42
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7,8-trichloroquinoxaline
CID 15841153
5-bromo-2-chloro-6-fluoroquinoxaline
CID 154728845
8-bromo-2-chloro-6-methylquinoxaline
CID 15239007
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
8-bromo-2-fluoro-1,5-naphthyridine
CID 86767805
2-chloro-5,6-difluoroquinoxaline
CID 88541050
3-bromo-5-chloro-2-fluoropyrazine
CID 176755225
3-chloroquinoxaline-5-carbonitrile
CID 119083814
6-bromo-5-chloroquinazoline
CID 171373805
6-bromo-5-fluoroquinoxaline
CID 154729420
3-chloroquinoxaline-5-carboxylic acid
CID 115026152
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline?
The IUPAC name of 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline (CID 161459471) is 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline.
What is the SMILES notation for 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline?
The canonical SMILES for 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline is Clc1cnc2ccc(Br)c(Cl)c2n1.Fc1cnc2ccc(Br)c(Cl)c2n1.
What is the InChIKey of 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline?
The InChIKey is WBPIRXPKQULCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2.C8H3BrClFN2/c9-4-1-2-5-8(7(4)11)13-6(10)3-12-5;9-4-1-2-5-8(7(4)10)13-6(11)3-12-5/h2*1-3H.
What are the key properties of 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline?
7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline has a molecular weight of 539.42 g/mol, XLogP of 6.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-chloro-2-fluoroquinoxaline;7-bromo-2,8-dichloroquinoxaline is sourced from PubChem (CID 161459471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).