4-(2,5-dichlorophenyl)pyrimidine

C10H6Cl2N2 — CID 130088774

IUPAC4-(2,5-dichlorophenyl)pyrimidine
SMILESClc1ccc(Cl)c(-c2ccncn2)c1
InChIInChI=1S/C10H6Cl2N2/c11-7-1-2-9(12)8(5-7)10-3-4-13-6-14-10/h1-6H
InChIKeyPHDNJBQSCJHNDT-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.45
Rot. Bonds1

About 4-(2,5-dichlorophenyl)pyrimidine

4-(2,5-dichlorophenyl)pyrimidine (PubChem CID 130088774) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)pyrimidine
PubChem CID130088774
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name4-(2,5-dichlorophenyl)pyrimidine
SMILESClc1ccc(Cl)c(-c2ccncn2)c1
InChIInChI=1S/C10H6Cl2N2/c11-7-1-2-9(12)8(5-7)10-3-4-13-6-14-10/h1-6H
InChIKeyPHDNJBQSCJHNDT-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)pyrimidine?
The IUPAC name of 4-(2,5-dichlorophenyl)pyrimidine (CID 130088774) is 4-(2,5-dichlorophenyl)pyrimidine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)pyrimidine?
The canonical SMILES for 4-(2,5-dichlorophenyl)pyrimidine is Clc1ccc(Cl)c(-c2ccncn2)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)pyrimidine?
The InChIKey is PHDNJBQSCJHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-7-1-2-9(12)8(5-7)10-3-4-13-6-14-10/h1-6H.
What are the key properties of 4-(2,5-dichlorophenyl)pyrimidine?
4-(2,5-dichlorophenyl)pyrimidine has a molecular weight of 225.08 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)pyrimidine is sourced from PubChem (CID 130088774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).