4-bromo-6,8-difluoro-2-methylquinazoline

C9H5BrF2N2 — CID 106584293

IUPAC4-bromo-6,8-difluoro-2-methylquinazoline
SMILESCc1nc(Br)c2cc(F)cc(F)c2n1
InChIInChI=1S/C9H5BrF2N2/c1-4-13-8-6(9(10)14-4)2-5(11)3-7(8)12/h2-3H,1H3
InChIKeyNSTKLGMDSFWHKO-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.98
Rot. Bonds

About 4-bromo-6,8-difluoro-2-methylquinazoline

4-bromo-6,8-difluoro-2-methylquinazoline (PubChem CID 106584293) has the molecular formula C9H5BrF2N2 and a molecular weight of 259.05 g/mol. Its IUPAC name is 4-bromo-6,8-difluoro-2-methylquinazoline.

Molecular Properties

Compound Name4-bromo-6,8-difluoro-2-methylquinazoline
PubChem CID106584293
Molecular FormulaC9H5BrF2N2
Molecular Weight259.05 g/mol
Exact Mass257.96
IUPAC Name4-bromo-6,8-difluoro-2-methylquinazoline
SMILESCc1nc(Br)c2cc(F)cc(F)c2n1
InChIInChI=1S/C9H5BrF2N2/c1-4-13-8-6(9(10)14-4)2-5(11)3-7(8)12/h2-3H,1H3
InChIKeyNSTKLGMDSFWHKO-UHFFFAOYSA-N
XLogP2.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
CID 177249429
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
CID 121236848
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
CID 82575777
6,8-difluoro-4-methylcinnoline;ethane
CID 177201340
4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743382
5,7-difluoro-2-methyl-3H-1,3-benzazaphosphole
CID 6326303
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
CID 82577565
4-bromo-6-chloro-8-fluoro-2-propylquinazoline
CID 106584157
6-bromo-2-methyl-1,3-benzothiazole;4,6-difluoro-2-methyl-1,3-benzothiazole
CID 157222863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,8-difluoro-2-methylquinazoline?
The IUPAC name of 4-bromo-6,8-difluoro-2-methylquinazoline (CID 106584293) is 4-bromo-6,8-difluoro-2-methylquinazoline.
What is the SMILES notation for 4-bromo-6,8-difluoro-2-methylquinazoline?
The canonical SMILES for 4-bromo-6,8-difluoro-2-methylquinazoline is Cc1nc(Br)c2cc(F)cc(F)c2n1.
What is the InChIKey of 4-bromo-6,8-difluoro-2-methylquinazoline?
The InChIKey is NSTKLGMDSFWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2/c1-4-13-8-6(9(10)14-4)2-5(11)3-7(8)12/h2-3H,1H3.
What are the key properties of 4-bromo-6,8-difluoro-2-methylquinazoline?
4-bromo-6,8-difluoro-2-methylquinazoline has a molecular weight of 259.05 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,8-difluoro-2-methylquinazoline is sourced from PubChem (CID 106584293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).