2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine

C15H5F15N2 — CID 18982625

IUPAC2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1C(F)(F)F.FC(F)(F)c1ccnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F9N.C7H3F6N/c9-6(10,11)3-1-2-18-5(8(15,16)17)4(3)7(12,13)14;8-6(9,10)4-2-1-3-14-5(4)7(11,12)13/h1-2H;1-3H
InChIKeyOXQNPHNISLSODY-UHFFFAOYSA-N
MW498.19 g/mol
LogP7.26
Rot. Bonds

About 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine

2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine (PubChem CID 18982625) has the molecular formula C15H5F15N2 and a molecular weight of 498.19 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine
PubChem CID18982625
Molecular FormulaC15H5F15N2
Molecular Weight498.19 g/mol
Exact Mass498.02
IUPAC Name2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1C(F)(F)F.FC(F)(F)c1ccnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F9N.C7H3F6N/c9-6(10,11)3-1-2-18-5(8(15,16)17)4(3)7(12,13)14;8-6(9,10)4-2-1-3-14-5(4)7(11,12)13/h1-2H;1-3H
InChIKeyOXQNPHNISLSODY-UHFFFAOYSA-N
XLogP7.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.19
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine?
The IUPAC name of 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine (CID 18982625) is 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1C(F)(F)F.FC(F)(F)c1ccnc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine?
The InChIKey is OXQNPHNISLSODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F9N.C7H3F6N/c9-6(10,11)3-1-2-18-5(8(15,16)17)4(3)7(12,13)14;8-6(9,10)4-2-1-3-14-5(4)7(11,12)13/h1-2H;1-3H.
What are the key properties of 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine?
2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine has a molecular weight of 498.19 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)pyridine;2,3,4-tris(trifluoromethyl)pyridine is sourced from PubChem (CID 18982625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).