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

C16H9ClF3N3 — CID 156866103

IUPAC4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H9ClF3N3/c17-14-8-13(10-3-5-12(6-4-10)16(18,19)20)22-15(23-14)11-2-1-7-21-9-11/h1-9H
InChIKeyBTUUNIGWJHMGFD-UHFFFAOYSA-N
MW335.72 g/mol
LogP4.88
Rot. Bonds2

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

4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 156866103) has the molecular formula C16H9ClF3N3 and a molecular weight of 335.72 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID156866103
Molecular FormulaC16H9ClF3N3
Molecular Weight335.72 g/mol
Exact Mass335.04
IUPAC Name4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H9ClF3N3/c17-14-8-13(10-3-5-12(6-4-10)16(18,19)20)22-15(23-14)11-2-1-7-21-9-11/h1-9H
InChIKeyBTUUNIGWJHMGFD-UHFFFAOYSA-N
XLogP4.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 24760216
4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141288898
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
(3R,4R)-4-(hydroxymethyl)-1-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 156866330
[4-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-2-yl]methanol
CID 175342084
4-chloro-2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidine
CID 86633449
[(3S,4S)-3-fluoro-1-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 156866164
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 156866103) is 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is BTUUNIGWJHMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3/c17-14-8-13(10-3-5-12(6-4-10)16(18,19)20)22-15(23-14)11-2-1-7-21-9-11/h1-9H.
What are the key properties of 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 335.72 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 156866103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).