3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine

C14H9BrF2N4 — CID 102986610

IUPAC3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrF2N4/c15-7-5-8(16)12(9(17)6-7)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21)
InChIKeyRJFIYIXKAHWJCE-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.00
Rot. Bonds2

About 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine

3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine (PubChem CID 102986610) has the molecular formula C14H9BrF2N4 and a molecular weight of 351.15 g/mol. Its IUPAC name is 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
PubChem CID102986610
Molecular FormulaC14H9BrF2N4
Molecular Weight351.15 g/mol
Exact Mass350.00
IUPAC Name3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9BrF2N4/c15-7-5-8(16)12(9(17)6-7)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21)
InChIKeyRJFIYIXKAHWJCE-UHFFFAOYSA-N
XLogP4.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyridin-2-amine
CID 80931237
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385
3-N-[(4-bromothiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984548
3,7-dibromo-5-fluoroquinolin-2-amine
CID 138687958

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine (CID 102986610) is 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is RJFIYIXKAHWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N4/c15-7-5-8(16)12(9(17)6-7)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21).
What are the key properties of 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine?
3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine has a molecular weight of 351.15 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102986610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).