2-chloro-4-(2,4-dichlorophenyl)pyrimidine

C10H5Cl3N2 — CID 11086481

IUPAC2-chloro-4-(2,4-dichlorophenyl)pyrimidine
SMILESClc1ccc(-c2ccnc(Cl)n2)c(Cl)c1
InChIInChI=1S/C10H5Cl3N2/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H
InChIKeyBZMRXLJOOHPIIU-UHFFFAOYSA-N
MW259.52 g/mol
LogP4.10
Rot. Bonds1

About 2-chloro-4-(2,4-dichlorophenyl)pyrimidine

2-chloro-4-(2,4-dichlorophenyl)pyrimidine (PubChem CID 11086481) has the molecular formula C10H5Cl3N2 and a molecular weight of 259.52 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dichlorophenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dichlorophenyl)pyrimidine
PubChem CID11086481
Molecular FormulaC10H5Cl3N2
Molecular Weight259.52 g/mol
Exact Mass257.95
IUPAC Name2-chloro-4-(2,4-dichlorophenyl)pyrimidine
SMILESClc1ccc(-c2ccnc(Cl)n2)c(Cl)c1
InChIInChI=1S/C10H5Cl3N2/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H
InChIKeyBZMRXLJOOHPIIU-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dichlorophenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2,4-dichlorophenyl)pyrimidine (CID 11086481) is 2-chloro-4-(2,4-dichlorophenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,4-dichlorophenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,4-dichlorophenyl)pyrimidine is Clc1ccc(-c2ccnc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2,4-dichlorophenyl)pyrimidine?
The InChIKey is BZMRXLJOOHPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H.
What are the key properties of 2-chloro-4-(2,4-dichlorophenyl)pyrimidine?
2-chloro-4-(2,4-dichlorophenyl)pyrimidine has a molecular weight of 259.52 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dichlorophenyl)pyrimidine is sourced from PubChem (CID 11086481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).