2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

C17H9F12N5 — CID 122630463

IUPAC2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1
InChIInChI=1S/C17H9F12N5/c18-14(19,20)10-4-12(16(24,25)26)33(31-10)6-8-2-1-3-9(30-8)7-34-13(17(27,28)29)5-11(32-34)15(21,22)23/h1-5H,6-7H2
InChIKeyOIAFQTRUFYZUGA-UHFFFAOYSA-N
MW511.27 g/mol
LogP5.65
Rot. Bonds4

About 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 122630463) has the molecular formula C17H9F12N5 and a molecular weight of 511.27 g/mol. Its IUPAC name is 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
PubChem CID122630463
Molecular FormulaC17H9F12N5
Molecular Weight511.27 g/mol
Exact Mass511.07
IUPAC Name2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1
InChIInChI=1S/C17H9F12N5/c18-14(19,20)10-4-12(16(24,25)26)33(31-10)6-8-2-1-3-9(30-8)7-34-13(17(27,28)29)5-11(32-34)15(21,22)23/h1-5H,6-7H2
InChIKeyOIAFQTRUFYZUGA-UHFFFAOYSA-N
XLogP5.65
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.27
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (CID 122630463) is 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is FC(F)(F)c1cc(C(F)(F)F)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.
What is the InChIKey of 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is OIAFQTRUFYZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F12N5/c18-14(19,20)10-4-12(16(24,25)26)33(31-10)6-8-2-1-3-9(30-8)7-34-13(17(27,28)29)5-11(32-34)15(21,22)23/h1-5H,6-7H2.
What are the key properties of 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 511.27 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 122630463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).