7-bromo-2,4-dichloro-6-fluoroquinazoline

C8H2BrCl2FN2 — CID 86665763

IUPAC7-bromo-2,4-dichloro-6-fluoroquinazoline
SMILESFc1cc2c(Cl)nc(Cl)nc2cc1Br
InChIInChI=1S/C8H2BrCl2FN2/c9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6/h1-2H
InChIKeyWJIAEAFMXQJOIU-UHFFFAOYSA-N
MW295.93 g/mol
LogP3.84
Rot. Bonds

About 7-bromo-2,4-dichloro-6-fluoroquinazoline

7-bromo-2,4-dichloro-6-fluoroquinazoline (PubChem CID 86665763) has the molecular formula C8H2BrCl2FN2 and a molecular weight of 295.93 g/mol. Its IUPAC name is 7-bromo-2,4-dichloro-6-fluoroquinazoline.

Molecular Properties

Compound Name7-bromo-2,4-dichloro-6-fluoroquinazoline
PubChem CID86665763
Molecular FormulaC8H2BrCl2FN2
Molecular Weight295.93 g/mol
Exact Mass293.88
IUPAC Name7-bromo-2,4-dichloro-6-fluoroquinazoline
SMILESFc1cc2c(Cl)nc(Cl)nc2cc1Br
InChIInChI=1S/C8H2BrCl2FN2/c9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6/h1-2H
InChIKeyWJIAEAFMXQJOIU-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.93
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichloro-6-fluoroquinazoline?
The IUPAC name of 7-bromo-2,4-dichloro-6-fluoroquinazoline (CID 86665763) is 7-bromo-2,4-dichloro-6-fluoroquinazoline.
What is the SMILES notation for 7-bromo-2,4-dichloro-6-fluoroquinazoline?
The canonical SMILES for 7-bromo-2,4-dichloro-6-fluoroquinazoline is Fc1cc2c(Cl)nc(Cl)nc2cc1Br.
What is the InChIKey of 7-bromo-2,4-dichloro-6-fluoroquinazoline?
The InChIKey is WJIAEAFMXQJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2FN2/c9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6/h1-2H.
What are the key properties of 7-bromo-2,4-dichloro-6-fluoroquinazoline?
7-bromo-2,4-dichloro-6-fluoroquinazoline has a molecular weight of 295.93 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichloro-6-fluoroquinazoline is sourced from PubChem (CID 86665763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).