2-(3,4-dibromophenyl)pyrimidine

C10H6Br2N2 — CID 66927296

IUPAC2-(3,4-dibromophenyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cc1Br
InChIInChI=1S/C10H6Br2N2/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h1-6H
InChIKeyXYEYNZLMTZURHV-UHFFFAOYSA-N
MW313.98 g/mol
LogP3.67
Rot. Bonds1

About 2-(3,4-dibromophenyl)pyrimidine

2-(3,4-dibromophenyl)pyrimidine (PubChem CID 66927296) has the molecular formula C10H6Br2N2 and a molecular weight of 313.98 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)pyrimidine.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)pyrimidine
PubChem CID66927296
Molecular FormulaC10H6Br2N2
Molecular Weight313.98 g/mol
Exact Mass311.89
IUPAC Name2-(3,4-dibromophenyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cc1Br
InChIInChI=1S/C10H6Br2N2/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h1-6H
InChIKeyXYEYNZLMTZURHV-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.98
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)pyrimidine?
The IUPAC name of 2-(3,4-dibromophenyl)pyrimidine (CID 66927296) is 2-(3,4-dibromophenyl)pyrimidine.
What is the SMILES notation for 2-(3,4-dibromophenyl)pyrimidine?
The canonical SMILES for 2-(3,4-dibromophenyl)pyrimidine is Brc1ccc(-c2ncccn2)cc1Br.
What is the InChIKey of 2-(3,4-dibromophenyl)pyrimidine?
The InChIKey is XYEYNZLMTZURHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h1-6H.
What are the key properties of 2-(3,4-dibromophenyl)pyrimidine?
2-(3,4-dibromophenyl)pyrimidine has a molecular weight of 313.98 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)pyrimidine is sourced from PubChem (CID 66927296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).