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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Related Compounds

3-(3,4-difluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992681
3-(4-fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992824
2-(6-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813491
4-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132211928
3-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132212000
2-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132212053
4-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]-3-fluoropyridine
CID 132212090
3-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224407
4-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224411
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 56781090
2-(1-(3,5-Difluorophenyl)-1hpyrazol-3-yl)pyridine
CID 10149247
2-(1-Pentafluorophenyl-1h-pyrazol-3-yl)-pyridine
CID 10308505

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).