4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine

C15H8Cl3N3 — CID 79432804

IUPAC4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
SMILESClc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1
InChIInChI=1S/C15H8Cl3N3/c16-10-6-4-9(5-7-10)12-13(17)20-15(21-14(12)18)11-3-1-2-8-19-11/h1-8H
InChIKeyWWNARTVORAEVTR-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.17
Rot. Bonds2

About 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine (PubChem CID 79432804) has the molecular formula C15H8Cl3N3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
PubChem CID79432804
Molecular FormulaC15H8Cl3N3
Molecular Weight336.61 g/mol
Exact Mass334.98
IUPAC Name4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
SMILESClc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1
InChIInChI=1S/C15H8Cl3N3/c16-10-6-4-9(5-7-10)12-13(17)20-15(21-14(12)18)11-3-1-2-8-19-11/h1-8H
InChIKeyWWNARTVORAEVTR-UHFFFAOYSA-N
XLogP5.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
CID 139150015
CID 139150015
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
CID 86668904
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine (CID 79432804) is 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine is Clc1ccc(-c2c(Cl)nc(-c3ccccn3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine?
The InChIKey is WWNARTVORAEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3/c16-10-6-4-9(5-7-10)12-13(17)20-15(21-14(12)18)11-3-1-2-8-19-11/h1-8H.
What are the key properties of 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine has a molecular weight of 336.61 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 79432804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).