4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine

C20H12ClFN4 — CID 23000487

IUPAC4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccncc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H12ClFN4/c21-19-17(13-1-3-16(22)4-2-13)18(14-5-9-23-10-6-14)25-20(26-19)15-7-11-24-12-8-15/h1-12H
InChIKeyAALXFRDMHOLMOZ-UHFFFAOYSA-N
MW362.80 g/mol
LogP5.06
Rot. Bonds3

About 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine

4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine (PubChem CID 23000487) has the molecular formula C20H12ClFN4 and a molecular weight of 362.80 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine
PubChem CID23000487
Molecular FormulaC20H12ClFN4
Molecular Weight362.80 g/mol
Exact Mass362.07
IUPAC Name4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3ccncc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H12ClFN4/c21-19-17(13-1-3-16(22)4-2-13)18(14-5-9-23-10-6-14)25-20(26-19)15-7-11-24-12-8-15/h1-12H
InChIKeyAALXFRDMHOLMOZ-UHFFFAOYSA-N
XLogP5.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine (CID 23000487) is 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine is Fc1ccc(-c2c(Cl)nc(-c3ccncc3)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine?
The InChIKey is AALXFRDMHOLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN4/c21-19-17(13-1-3-16(22)4-2-13)18(14-5-9-23-10-6-14)25-20(26-19)15-7-11-24-12-8-15/h1-12H.
What are the key properties of 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine?
4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine has a molecular weight of 362.80 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)-2,6-dipyridin-4-ylpyrimidine is sourced from PubChem (CID 23000487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).