3-chloro-7-fluoroquinoxalin-2-amine

C8H5ClFN3 — CID 86625776

IUPAC3-chloro-7-fluoroquinoxalin-2-amine
SMILESNc1nc2cc(F)ccc2nc1Cl
InChIInChI=1S/C8H5ClFN3/c9-7-8(11)13-6-3-4(10)1-2-5(6)12-7/h1-3H,(H2,11,13)
InChIKeyXRPNCYNGYGWDHU-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.00
Rot. Bonds

About 3-chloro-7-fluoroquinoxalin-2-amine

3-chloro-7-fluoroquinoxalin-2-amine (PubChem CID 86625776) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 3-chloro-7-fluoroquinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-7-fluoroquinoxalin-2-amine
PubChem CID86625776
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name3-chloro-7-fluoroquinoxalin-2-amine
SMILESNc1nc2cc(F)ccc2nc1Cl
InChIInChI=1S/C8H5ClFN3/c9-7-8(11)13-6-3-4(10)1-2-5(6)12-7/h1-3H,(H2,11,13)
InChIKeyXRPNCYNGYGWDHU-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoroquinoxalin-2-amine?
The IUPAC name of 3-chloro-7-fluoroquinoxalin-2-amine (CID 86625776) is 3-chloro-7-fluoroquinoxalin-2-amine.
What is the SMILES notation for 3-chloro-7-fluoroquinoxalin-2-amine?
The canonical SMILES for 3-chloro-7-fluoroquinoxalin-2-amine is Nc1nc2cc(F)ccc2nc1Cl.
What is the InChIKey of 3-chloro-7-fluoroquinoxalin-2-amine?
The InChIKey is XRPNCYNGYGWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-7-8(11)13-6-3-4(10)1-2-5(6)12-7/h1-3H,(H2,11,13).
What are the key properties of 3-chloro-7-fluoroquinoxalin-2-amine?
3-chloro-7-fluoroquinoxalin-2-amine has a molecular weight of 197.60 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoroquinoxalin-2-amine is sourced from PubChem (CID 86625776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).