6-bromo-4-chloro-8-fluoro-2-methylquinazoline

C9H5BrClFN2 — CID 114590943

IUPAC6-bromo-4-chloro-8-fluoro-2-methylquinazoline
SMILESCc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C9H5BrClFN2/c1-4-13-8-6(9(11)14-4)2-5(10)3-7(8)12/h2-3H,1H3
InChIKeySGGGPTKWFPTMKM-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.49
Rot. Bonds

About 6-bromo-4-chloro-8-fluoro-2-methylquinazoline

6-bromo-4-chloro-8-fluoro-2-methylquinazoline (PubChem CID 114590943) has the molecular formula C9H5BrClFN2 and a molecular weight of 275.51 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-fluoro-2-methylquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-8-fluoro-2-methylquinazoline
PubChem CID114590943
Molecular FormulaC9H5BrClFN2
Molecular Weight275.51 g/mol
Exact Mass273.93
IUPAC Name6-bromo-4-chloro-8-fluoro-2-methylquinazoline
SMILESCc1nc(Cl)c2cc(Br)cc(F)c2n1
InChIInChI=1S/C9H5BrClFN2/c1-4-13-8-6(9(11)14-4)2-5(10)3-7(8)12/h2-3H,1H3
InChIKeySGGGPTKWFPTMKM-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.49
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-8-fluoro-2-methylquinazoline?
The IUPAC name of 6-bromo-4-chloro-8-fluoro-2-methylquinazoline (CID 114590943) is 6-bromo-4-chloro-8-fluoro-2-methylquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-8-fluoro-2-methylquinazoline?
The canonical SMILES for 6-bromo-4-chloro-8-fluoro-2-methylquinazoline is Cc1nc(Cl)c2cc(Br)cc(F)c2n1.
What is the InChIKey of 6-bromo-4-chloro-8-fluoro-2-methylquinazoline?
The InChIKey is SGGGPTKWFPTMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2/c1-4-13-8-6(9(11)14-4)2-5(10)3-7(8)12/h2-3H,1H3.
What are the key properties of 6-bromo-4-chloro-8-fluoro-2-methylquinazoline?
6-bromo-4-chloro-8-fluoro-2-methylquinazoline has a molecular weight of 275.51 g/mol, XLogP of 3.49, 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-8-fluoro-2-methylquinazoline is sourced from PubChem (CID 114590943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).