2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine

C22H12F6N4 — CID 24760216

IUPAC2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccnc3-c3cccnc3)n2)cc1
InChIInChI=1S/C22H12F6N4/c23-21(24,25)15-7-5-13(6-8-15)17-11-18(22(26,27)28)32-20(31-17)16-4-2-10-30-19(16)14-3-1-9-29-12-14/h1-12H
InChIKeyBVUBEBNVCJXDLH-UHFFFAOYSA-N
MW446.35 g/mol
LogP6.31
Rot. Bonds3

About 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine

2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 24760216) has the molecular formula C22H12F6N4 and a molecular weight of 446.35 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID24760216
Molecular FormulaC22H12F6N4
Molecular Weight446.35 g/mol
Exact Mass446.10
IUPAC Name2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccnc3-c3cccnc3)n2)cc1
InChIInChI=1S/C22H12F6N4/c23-21(24,25)15-7-5-13(6-8-15)17-11-18(22(26,27)28)32-20(31-17)16-4-2-10-30-19(16)14-3-1-9-29-12-14/h1-12H
InChIKeyBVUBEBNVCJXDLH-UHFFFAOYSA-N
XLogP6.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 156866103
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141288898
3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pyridine
CID 135066095
calcium;2,3-dipyridin-3-ylpyridine;hydride
CID 174847287
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 24760216) is 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccnc3-c3cccnc3)n2)cc1.
What is the InChIKey of 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is BVUBEBNVCJXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N4/c23-21(24,25)15-7-5-13(6-8-15)17-11-18(22(26,27)28)32-20(31-17)16-4-2-10-30-19(16)14-3-1-9-29-12-14/h1-12H.
What are the key properties of 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 446.35 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 24760216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).