6-chloro-7-fluoroquinoxaline-2,3-diamine

C8H6ClFN4 — CID 127045068

IUPAC6-chloro-7-fluoroquinoxaline-2,3-diamine
SMILESNc1nc2cc(F)c(Cl)cc2nc1N
InChIInChI=1S/C8H6ClFN4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyFWUKLFMFGLUXCC-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.59
Rot. Bonds

About 6-chloro-7-fluoroquinoxaline-2,3-diamine

6-chloro-7-fluoroquinoxaline-2,3-diamine (PubChem CID 127045068) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 6-chloro-7-fluoroquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-7-fluoroquinoxaline-2,3-diamine
PubChem CID127045068
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name6-chloro-7-fluoroquinoxaline-2,3-diamine
SMILESNc1nc2cc(F)c(Cl)cc2nc1N
InChIInChI=1S/C8H6ClFN4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyFWUKLFMFGLUXCC-UHFFFAOYSA-N
XLogP1.59
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoroquinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-7-fluoroquinoxaline-2,3-diamine (CID 127045068) is 6-chloro-7-fluoroquinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-7-fluoroquinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-7-fluoroquinoxaline-2,3-diamine is Nc1nc2cc(F)c(Cl)cc2nc1N.
What is the InChIKey of 6-chloro-7-fluoroquinoxaline-2,3-diamine?
The InChIKey is FWUKLFMFGLUXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-3-1-5-6(2-4(3)10)14-8(12)7(11)13-5/h1-2H,(H2,11,13)(H2,12,14).
What are the key properties of 6-chloro-7-fluoroquinoxaline-2,3-diamine?
6-chloro-7-fluoroquinoxaline-2,3-diamine has a molecular weight of 212.62 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoroquinoxaline-2,3-diamine is sourced from PubChem (CID 127045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).