4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline

C13H12FN3 — CID 170439465

IUPAC4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline
SMILESFc1ccc(N2CCNc3ccccc32)nc1
InChIInChI=1S/C13H12FN3/c14-10-5-6-13(16-9-10)17-8-7-15-11-3-1-2-4-12(11)17/h1-6,9,15H,7-8H2
InChIKeyXHGUXCBMBPZVPK-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.78
Rot. Bonds1

About 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline

4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 170439465) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline
PubChem CID170439465
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline
SMILESFc1ccc(N2CCNc3ccccc32)nc1
InChIInChI=1S/C13H12FN3/c14-10-5-6-13(16-9-10)17-8-7-15-11-3-1-2-4-12(11)17/h1-6,9,15H,7-8H2
InChIKeyXHGUXCBMBPZVPK-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline (CID 170439465) is 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline is Fc1ccc(N2CCNc3ccccc32)nc1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is XHGUXCBMBPZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-10-5-6-13(16-9-10)17-8-7-15-11-3-1-2-4-12(11)17/h1-6,9,15H,7-8H2.
What are the key properties of 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline?
4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 229.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 170439465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).