zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C26H24F6N6Zn — CID 58836131

IUPACzinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(CCC(C)(C)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn+2]
InChIInChI=1S/C26H24F6N6.Zn/c1-23(2,19-9-5-7-15(33-19)17-13-21(37-35-17)25(27,28)29)11-12-24(3,4)20-10-6-8-16(34-20)18-14-22(38-36-18)26(30,31)32;/h5-10,13-14H,11-12H2,1-4H3;/q-2;+2
InChIKeyGEPWQXUQRQHQSW-UHFFFAOYSA-N
MW599.90 g/mol
LogP6.59
Rot. Bonds7

About zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 58836131) has the molecular formula C26H24F6N6Zn and a molecular weight of 599.90 g/mol. Its IUPAC name is zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namezinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID58836131
Molecular FormulaC26H24F6N6Zn
Molecular Weight599.90 g/mol
Exact Mass598.13
IUPAC Namezinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(CCC(C)(C)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn+2]
InChIInChI=1S/C26H24F6N6.Zn/c1-23(2,19-9-5-7-15(33-19)17-13-21(37-35-17)25(27,28)29)11-12-24(3,4)20-10-6-8-16(34-20)18-14-22(38-36-18)26(30,31)32;/h5-10,13-14H,11-12H2,1-4H3;/q-2;+2
InChIKeyGEPWQXUQRQHQSW-UHFFFAOYSA-N
XLogP6.59
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.90
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 58836131) is zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)(CCC(C)(C)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.[Zn+2].
What is the InChIKey of zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is GEPWQXUQRQHQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N6.Zn/c1-23(2,19-9-5-7-15(33-19)17-13-21(37-35-17)25(27,28)29)11-12-24(3,4)20-10-6-8-16(34-20)18-14-22(38-36-18)26(30,31)32;/h5-10,13-14H,11-12H2,1-4H3;/q-2;+2.
What are the key properties of zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 599.90 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-[2,5-dimethyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]hexan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 58836131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).