6-bromo-2-fluoro-8-(methoxymethyl)quinazoline

C10H8BrFN2O — CID 138676809

IUPAC6-bromo-2-fluoro-8-(methoxymethyl)quinazoline
SMILESCOCc1cc(Br)cc2cnc(F)nc12
InChIInChI=1S/C10H8BrFN2O/c1-15-5-7-3-8(11)2-6-4-13-10(12)14-9(6)7/h2-4H,5H2,1H3
InChIKeyGPUYJACEZGZAKD-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.68
Rot. Bonds2

About 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline

6-bromo-2-fluoro-8-(methoxymethyl)quinazoline (PubChem CID 138676809) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline.

Molecular Properties

Compound Name6-bromo-2-fluoro-8-(methoxymethyl)quinazoline
PubChem CID138676809
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name6-bromo-2-fluoro-8-(methoxymethyl)quinazoline
SMILESCOCc1cc(Br)cc2cnc(F)nc12
InChIInChI=1S/C10H8BrFN2O/c1-15-5-7-3-8(11)2-6-4-13-10(12)14-9(6)7/h2-4H,5H2,1H3
InChIKeyGPUYJACEZGZAKD-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline?
The IUPAC name of 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline (CID 138676809) is 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline.
What is the SMILES notation for 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline?
The canonical SMILES for 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline is COCc1cc(Br)cc2cnc(F)nc12.
What is the InChIKey of 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline?
The InChIKey is GPUYJACEZGZAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-15-5-7-3-8(11)2-6-4-13-10(12)14-9(6)7/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline?
6-bromo-2-fluoro-8-(methoxymethyl)quinazoline has a molecular weight of 271.09 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-8-(methoxymethyl)quinazoline is sourced from PubChem (CID 138676809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).