2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine

C19H14BF3N2O2 — CID 134956623

IUPAC2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine
SMILESFC(F)(F)C1COB(c2ccccc2-c2ccc(-c3ccccn3)nc2)O1
InChIInChI=1S/C19H14BF3N2O2/c21-19(22,23)18-12-26-20(27-18)15-6-2-1-5-14(15)13-8-9-17(25-11-13)16-7-3-4-10-24-16/h1-11,18H,12H2
InChIKeyCMDXNXLXXJNYRG-UHFFFAOYSA-N
MW370.14 g/mol
LogP3.48
Rot. Bonds3

About 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine

2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine (PubChem CID 134956623) has the molecular formula C19H14BF3N2O2 and a molecular weight of 370.14 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine
PubChem CID134956623
Molecular FormulaC19H14BF3N2O2
Molecular Weight370.14 g/mol
Exact Mass370.11
IUPAC Name2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine
SMILESFC(F)(F)C1COB(c2ccccc2-c2ccc(-c3ccccn3)nc2)O1
InChIInChI=1S/C19H14BF3N2O2/c21-19(22,23)18-12-26-20(27-18)15-6-2-1-5-14(15)13-8-9-17(25-11-13)16-7-3-4-10-24-16/h1-11,18H,12H2
InChIKeyCMDXNXLXXJNYRG-UHFFFAOYSA-N
XLogP3.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-5-(pyridin-4-ylmethyl)pyridine
CID 57330009
2-Phenyl-5-(pyridin-3-ylmethyl)pyridine
CID 57330010
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
3-Fluoro-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
CID 73356735
2-(2-Fluorophenyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137633417
5-Phenyl-2,2'-bipyridine
CID 12982858
2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45786526
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 53482118
6-Phenyl-2,2'-bipyridine
CID 4613269
5-(4-Methylphenyl)-2,2'-bipyridine
CID 12186594
4-Phenyl-2,2'-bipyridine
CID 22630561
2-(4-Fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755190

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine (CID 134956623) is 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine is FC(F)(F)C1COB(c2ccccc2-c2ccc(-c3ccccn3)nc2)O1.
What is the InChIKey of 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine?
The InChIKey is CMDXNXLXXJNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BF3N2O2/c21-19(22,23)18-12-26-20(27-18)15-6-2-1-5-14(15)13-8-9-17(25-11-13)16-7-3-4-10-24-16/h1-11,18H,12H2.
What are the key properties of 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine?
2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine has a molecular weight of 370.14 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine is sourced from PubChem (CID 134956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).