2,5-dibromoquinazoline

C8H4Br2N2 — CID 130132273

IUPAC2,5-dibromoquinazoline
SMILESBrc1ncc2c(Br)cccc2n1
InChIInChI=1S/C8H4Br2N2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H
InChIKeyWLKBPDWXZISDDW-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.15
Rot. Bonds

About 2,5-dibromoquinazoline

2,5-dibromoquinazoline (PubChem CID 130132273) has the molecular formula C8H4Br2N2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 2,5-dibromoquinazoline.

Molecular Properties

Compound Name2,5-dibromoquinazoline
PubChem CID130132273
Molecular FormulaC8H4Br2N2
Molecular Weight287.94 g/mol
Exact Mass285.87
IUPAC Name2,5-dibromoquinazoline
SMILESBrc1ncc2c(Br)cccc2n1
InChIInChI=1S/C8H4Br2N2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H
InChIKeyWLKBPDWXZISDDW-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromoquinazoline?
The IUPAC name of 2,5-dibromoquinazoline (CID 130132273) is 2,5-dibromoquinazoline.
What is the SMILES notation for 2,5-dibromoquinazoline?
The canonical SMILES for 2,5-dibromoquinazoline is Brc1ncc2c(Br)cccc2n1.
What is the InChIKey of 2,5-dibromoquinazoline?
The InChIKey is WLKBPDWXZISDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H.
What are the key properties of 2,5-dibromoquinazoline?
2,5-dibromoquinazoline has a molecular weight of 287.94 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromoquinazoline is sourced from PubChem (CID 130132273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).