6-bromo-2,4,7-trichloroquinazoline

C8H2BrCl3N2 — CID 45379709

IUPAC6-bromo-2,4,7-trichloroquinazoline
SMILESClc1nc(Cl)c2cc(Br)c(Cl)cc2n1
InChIInChI=1S/C8H2BrCl3N2/c9-4-1-3-6(2-5(4)10)13-8(12)14-7(3)11/h1-2H
InChIKeyJYDYPKQCICPGSM-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.35
Rot. Bonds

About 6-bromo-2,4,7-trichloroquinazoline

6-bromo-2,4,7-trichloroquinazoline (PubChem CID 45379709) has the molecular formula C8H2BrCl3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-bromo-2,4,7-trichloroquinazoline.

Molecular Properties

Compound Name6-bromo-2,4,7-trichloroquinazoline
PubChem CID45379709
Molecular FormulaC8H2BrCl3N2
Molecular Weight312.38 g/mol
Exact Mass309.85
IUPAC Name6-bromo-2,4,7-trichloroquinazoline
SMILESClc1nc(Cl)c2cc(Br)c(Cl)cc2n1
InChIInChI=1S/C8H2BrCl3N2/c9-4-1-3-6(2-5(4)10)13-8(12)14-7(3)11/h1-2H
InChIKeyJYDYPKQCICPGSM-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4,7-trichloroquinazoline?
The IUPAC name of 6-bromo-2,4,7-trichloroquinazoline (CID 45379709) is 6-bromo-2,4,7-trichloroquinazoline.
What is the SMILES notation for 6-bromo-2,4,7-trichloroquinazoline?
The canonical SMILES for 6-bromo-2,4,7-trichloroquinazoline is Clc1nc(Cl)c2cc(Br)c(Cl)cc2n1.
What is the InChIKey of 6-bromo-2,4,7-trichloroquinazoline?
The InChIKey is JYDYPKQCICPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl3N2/c9-4-1-3-6(2-5(4)10)13-8(12)14-7(3)11/h1-2H.
What are the key properties of 6-bromo-2,4,7-trichloroquinazoline?
6-bromo-2,4,7-trichloroquinazoline has a molecular weight of 312.38 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4,7-trichloroquinazoline is sourced from PubChem (CID 45379709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).