4-chloro-2,6-dipyridin-4-ylpyrimidine

C14H9ClN4 — CID 94076889

IUPAC4-chloro-2,6-dipyridin-4-ylpyrimidine
SMILESClc1cc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H9ClN4/c15-13-9-12(10-1-5-16-6-2-10)18-14(19-13)11-3-7-17-8-4-11/h1-9H
InChIKeyQSTHEKCMCNXRAX-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.25
Rot. Bonds2

About 4-chloro-2,6-dipyridin-4-ylpyrimidine

4-chloro-2,6-dipyridin-4-ylpyrimidine (PubChem CID 94076889) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-chloro-2,6-dipyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dipyridin-4-ylpyrimidine
PubChem CID94076889
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name4-chloro-2,6-dipyridin-4-ylpyrimidine
SMILESClc1cc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H9ClN4/c15-13-9-12(10-1-5-16-6-2-10)18-14(19-13)11-3-7-17-8-4-11/h1-9H
InChIKeyQSTHEKCMCNXRAX-UHFFFAOYSA-N
XLogP3.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dipyridin-4-ylpyrimidine?
The IUPAC name of 4-chloro-2,6-dipyridin-4-ylpyrimidine (CID 94076889) is 4-chloro-2,6-dipyridin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dipyridin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dipyridin-4-ylpyrimidine is Clc1cc(-c2ccncc2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-chloro-2,6-dipyridin-4-ylpyrimidine?
The InChIKey is QSTHEKCMCNXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-13-9-12(10-1-5-16-6-2-10)18-14(19-13)11-3-7-17-8-4-11/h1-9H.
What are the key properties of 4-chloro-2,6-dipyridin-4-ylpyrimidine?
4-chloro-2,6-dipyridin-4-ylpyrimidine has a molecular weight of 268.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dipyridin-4-ylpyrimidine is sourced from PubChem (CID 94076889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).