6-bromo-8-ethyl-2-fluoroquinazoline

C10H8BrFN2 — CID 137352504

IUPAC6-bromo-8-ethyl-2-fluoroquinazoline
SMILESCCc1cc(Br)cc2cnc(F)nc12
InChIInChI=1S/C10H8BrFN2/c1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7/h3-5H,2H2,1H3
InChIKeySMDVXLFPZYOOTJ-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.09
Rot. Bonds1

About 6-bromo-8-ethyl-2-fluoroquinazoline

6-bromo-8-ethyl-2-fluoroquinazoline (PubChem CID 137352504) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-8-ethyl-2-fluoroquinazoline
PubChem CID137352504
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name6-bromo-8-ethyl-2-fluoroquinazoline
SMILESCCc1cc(Br)cc2cnc(F)nc12
InChIInChI=1S/C10H8BrFN2/c1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7/h3-5H,2H2,1H3
InChIKeySMDVXLFPZYOOTJ-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-fluoroquinazoline?
The IUPAC name of 6-bromo-8-ethyl-2-fluoroquinazoline (CID 137352504) is 6-bromo-8-ethyl-2-fluoroquinazoline.
What is the SMILES notation for 6-bromo-8-ethyl-2-fluoroquinazoline?
The canonical SMILES for 6-bromo-8-ethyl-2-fluoroquinazoline is CCc1cc(Br)cc2cnc(F)nc12.
What is the InChIKey of 6-bromo-8-ethyl-2-fluoroquinazoline?
The InChIKey is SMDVXLFPZYOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-8-ethyl-2-fluoroquinazoline?
6-bromo-8-ethyl-2-fluoroquinazoline has a molecular weight of 255.09 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2-fluoroquinazoline is sourced from PubChem (CID 137352504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).