2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine

C24H14F6N6 — CID 118654511

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C24H14F6N6/c25-23(26,27)21-11-19(33-35-21)17-9-3-7-15(31-17)13-5-1-2-6-14(13)16-8-4-10-18(32-16)20-12-22(36-34-20)24(28,29)30/h1-12H,(H,33,35)(H,34,36)
InChIKeyLGYJVXAKLUFESV-UHFFFAOYSA-N
MW500.41 g/mol
LogP6.63
Rot. Bonds4

About 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine (PubChem CID 118654511) has the molecular formula C24H14F6N6 and a molecular weight of 500.41 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine
PubChem CID118654511
Molecular FormulaC24H14F6N6
Molecular Weight500.41 g/mol
Exact Mass500.12
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C24H14F6N6/c25-23(26,27)21-11-19(33-35-21)17-9-3-7-15(31-17)13-5-1-2-6-14(13)16-8-4-10-18(32-16)20-12-22(36-34-20)24(28,29)30/h1-12H,(H,33,35)(H,34,36)
InChIKeyLGYJVXAKLUFESV-UHFFFAOYSA-N
XLogP6.63
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine (CID 118654511) is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine is FC(F)(F)c1cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine?
The InChIKey is LGYJVXAKLUFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N6/c25-23(26,27)21-11-19(33-35-21)17-9-3-7-15(31-17)13-5-1-2-6-14(13)16-8-4-10-18(32-16)20-12-22(36-34-20)24(28,29)30/h1-12H,(H,33,35)(H,34,36).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine?
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine has a molecular weight of 500.41 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]pyridine is sourced from PubChem (CID 118654511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).