6-bromo-4-chloroquinazoline;hydrochloride

C8H5BrCl2N2 — CID 75529861

IUPAC6-bromo-4-chloroquinazoline;hydrochloride
SMILESCl.Clc1ncnc2ccc(Br)cc12
InChIInChI=1S/C8H4BrClN2.ClH/c9-5-1-2-7-6(3-5)8(10)12-4-11-7;/h1-4H;1H
InChIKeyAJPKNVQORHXOKE-UHFFFAOYSA-N
MW279.95 g/mol
LogP3.47
Rot. Bonds

About 6-bromo-4-chloroquinazoline;hydrochloride

6-bromo-4-chloroquinazoline;hydrochloride (PubChem CID 75529861) has the molecular formula C8H5BrCl2N2 and a molecular weight of 279.95 g/mol. Its IUPAC name is 6-bromo-4-chloroquinazoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-4-chloroquinazoline;hydrochloride
PubChem CID75529861
Molecular FormulaC8H5BrCl2N2
Molecular Weight279.95 g/mol
Exact Mass277.90
IUPAC Name6-bromo-4-chloroquinazoline;hydrochloride
SMILESCl.Clc1ncnc2ccc(Br)cc12
InChIInChI=1S/C8H4BrClN2.ClH/c9-5-1-2-7-6(3-5)8(10)12-4-11-7;/h1-4H;1H
InChIKeyAJPKNVQORHXOKE-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.95
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinazoline;hydrochloride?
The IUPAC name of 6-bromo-4-chloroquinazoline;hydrochloride (CID 75529861) is 6-bromo-4-chloroquinazoline;hydrochloride.
What is the SMILES notation for 6-bromo-4-chloroquinazoline;hydrochloride?
The canonical SMILES for 6-bromo-4-chloroquinazoline;hydrochloride is Cl.Clc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloroquinazoline;hydrochloride?
The InChIKey is AJPKNVQORHXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2.ClH/c9-5-1-2-7-6(3-5)8(10)12-4-11-7;/h1-4H;1H.
What are the key properties of 6-bromo-4-chloroquinazoline;hydrochloride?
6-bromo-4-chloroquinazoline;hydrochloride has a molecular weight of 279.95 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinazoline;hydrochloride is sourced from PubChem (CID 75529861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).