2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine

C15H11F3N4 — CID 91316307

IUPAC2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine
SMILESFC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[nH]n1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12/h1-7,9H,8H2,(H,21,22)
InChIKeyMFDGQSQGTSVRRZ-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.48
Rot. Bonds3

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

2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine (PubChem CID 91316307) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine
PubChem CID91316307
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine
SMILESFC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[nH]n1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12/h1-7,9H,8H2,(H,21,22)
InChIKeyMFDGQSQGTSVRRZ-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
3,6-Di(2-pyridyl)pyridazine
CID 659563
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine (CID 91316307) is 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine is FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[nH]n1.
What is the InChIKey of 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine?
The InChIKey is MFDGQSQGTSVRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12/h1-7,9H,8H2,(H,21,22).
What are the key properties of 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine?
2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine has a molecular weight of 304.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyridine is sourced from PubChem (CID 91316307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).