5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine

C15H8ClF3N4 — CID 1483821

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc(-c3ccccn3)nc2)c(Cl)c1
InChIInChI=1S/C15H8ClF3N4/c16-11-5-10(15(17,18)19)8-21-13(11)9-6-22-14(23-7-9)12-3-1-2-4-20-12/h1-8H
InChIKeyDZKBWNQGOOFMMY-UHFFFAOYSA-N
MW336.70 g/mol
LogP4.27
Rot. Bonds2

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine (PubChem CID 1483821) has the molecular formula C15H8ClF3N4 and a molecular weight of 336.70 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine
PubChem CID1483821
Molecular FormulaC15H8ClF3N4
Molecular Weight336.70 g/mol
Exact Mass336.04
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc(-c3ccccn3)nc2)c(Cl)c1
InChIInChI=1S/C15H8ClF3N4/c16-11-5-10(15(17,18)19)8-21-13(11)9-6-22-14(23-7-9)12-3-1-2-4-20-12/h1-8H
InChIKeyDZKBWNQGOOFMMY-UHFFFAOYSA-N
XLogP4.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.70
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine (CID 1483821) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine is FC(F)(F)c1cnc(-c2cnc(-c3ccccn3)nc2)c(Cl)c1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is DZKBWNQGOOFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4/c16-11-5-10(15(17,18)19)8-21-13(11)9-6-22-14(23-7-9)12-3-1-2-4-20-12/h1-8H.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 336.70 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1483821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).