6-bromo-4-chloro-7-fluoroquinazoline

C8H3BrClFN2 — CID 57435181

IUPAC6-bromo-4-chloro-7-fluoroquinazoline
SMILESFc1cc2ncnc(Cl)c2cc1Br
InChIInChI=1S/C8H3BrClFN2/c9-5-1-4-7(2-6(5)11)12-3-13-8(4)10/h1-3H
InChIKeyQANMRDJSEHKTQZ-UHFFFAOYSA-N
MW261.48 g/mol
LogP3.18
Rot. Bonds

About 6-bromo-4-chloro-7-fluoroquinazoline

6-bromo-4-chloro-7-fluoroquinazoline (PubChem CID 57435181) has the molecular formula C8H3BrClFN2 and a molecular weight of 261.48 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-7-fluoroquinazoline
PubChem CID57435181
Molecular FormulaC8H3BrClFN2
Molecular Weight261.48 g/mol
Exact Mass259.92
IUPAC Name6-bromo-4-chloro-7-fluoroquinazoline
SMILESFc1cc2ncnc(Cl)c2cc1Br
InChIInChI=1S/C8H3BrClFN2/c9-5-1-4-7(2-6(5)11)12-3-13-8(4)10/h1-3H
InChIKeyQANMRDJSEHKTQZ-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-7-fluoroquinazoline (CID 57435181) is 6-bromo-4-chloro-7-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-7-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-7-fluoroquinazoline is Fc1cc2ncnc(Cl)c2cc1Br.
What is the InChIKey of 6-bromo-4-chloro-7-fluoroquinazoline?
The InChIKey is QANMRDJSEHKTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2/c9-5-1-4-7(2-6(5)11)12-3-13-8(4)10/h1-3H.
What are the key properties of 6-bromo-4-chloro-7-fluoroquinazoline?
6-bromo-4-chloro-7-fluoroquinazoline has a molecular weight of 261.48 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-fluoroquinazoline is sourced from PubChem (CID 57435181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).