2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline

C24H12F6N6 — CID 3693924

IUPAC2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H
InChIKeyCVBOAHMCFCBHMW-UHFFFAOYSA-N
MW498.39 g/mol
LogP6.25
Rot. Bonds3

About 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline

2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline (PubChem CID 3693924) has the molecular formula C24H12F6N6 and a molecular weight of 498.39 g/mol. Its IUPAC name is 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline.

Molecular Properties

Compound Name2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
PubChem CID3693924
Molecular FormulaC24H12F6N6
Molecular Weight498.39 g/mol
Exact Mass498.10
IUPAC Name2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H
InChIKeyCVBOAHMCFCBHMW-UHFFFAOYSA-N
XLogP6.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.39
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The IUPAC name of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline (CID 3693924) is 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline.
What is the SMILES notation for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The canonical SMILES for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline is FC(F)(F)c1ccc(-c2ncc(-c3cnc4ccccc4n3)c(-c3ccc(C(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
The InChIKey is CVBOAHMCFCBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N6/c25-23(26,27)19-7-5-13(9-32-19)21-15(18-12-31-16-3-1-2-4-17(16)35-18)11-34-22(36-21)14-6-8-20(33-10-14)24(28,29)30/h1-12H.
What are the key properties of 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline?
2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline has a molecular weight of 498.39 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoxaline is sourced from PubChem (CID 3693924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).