5,8-dibromo-6-fluoro-2-methylquinoline

C10H6Br2FN — CID 15148590

IUPAC5,8-dibromo-6-fluoro-2-methylquinoline
SMILESCc1ccc2c(Br)c(F)cc(Br)c2n1
InChIInChI=1S/C10H6Br2FN/c1-5-2-3-6-9(12)8(13)4-7(11)10(6)14-5/h2-4H,1H3
InChIKeyXSFWLAXYGFEAFX-UHFFFAOYSA-N
MW318.97 g/mol
LogP4.21
Rot. Bonds

About 5,8-dibromo-6-fluoro-2-methylquinoline

5,8-dibromo-6-fluoro-2-methylquinoline (PubChem CID 15148590) has the molecular formula C10H6Br2FN and a molecular weight of 318.97 g/mol. Its IUPAC name is 5,8-dibromo-6-fluoro-2-methylquinoline.

Molecular Properties

Compound Name5,8-dibromo-6-fluoro-2-methylquinoline
PubChem CID15148590
Molecular FormulaC10H6Br2FN
Molecular Weight318.97 g/mol
Exact Mass316.89
IUPAC Name5,8-dibromo-6-fluoro-2-methylquinoline
SMILESCc1ccc2c(Br)c(F)cc(Br)c2n1
InChIInChI=1S/C10H6Br2FN/c1-5-2-3-6-9(12)8(13)4-7(11)10(6)14-5/h2-4H,1H3
InChIKeyXSFWLAXYGFEAFX-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.97
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-fluoro-5-methoxy-2-methylquinoline
CID 22326732
2,5-dibromo-6-fluoro-8-methylquinoline
CID 107594212
(5-bromo-6,8-difluoroquinolin-2-yl)hydrazine
CID 102855168
8-bromo-5-fluoro-2,4-dimethylquinoline
CID 46236379
5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
CID 97036774
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
6-fluoro-2,5-dimethylquinoline
CID 19868176
3-bromo-6-methyl-2-methylsulfanylpyridine
CID 176708013
5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine
CID 107594176
lithium 5-bromo-8-methoxy-2-methyl-7-sulfinatoquinoline
CID 20643086
2,8-dibromo-5-chloro-6-methylquinoline
CID 102941285
4-bromo-7,8-dichloro-2-methylquinoline
CID 39346159

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-6-fluoro-2-methylquinoline?
The IUPAC name of 5,8-dibromo-6-fluoro-2-methylquinoline (CID 15148590) is 5,8-dibromo-6-fluoro-2-methylquinoline.
What is the SMILES notation for 5,8-dibromo-6-fluoro-2-methylquinoline?
The canonical SMILES for 5,8-dibromo-6-fluoro-2-methylquinoline is Cc1ccc2c(Br)c(F)cc(Br)c2n1.
What is the InChIKey of 5,8-dibromo-6-fluoro-2-methylquinoline?
The InChIKey is XSFWLAXYGFEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FN/c1-5-2-3-6-9(12)8(13)4-7(11)10(6)14-5/h2-4H,1H3.
What are the key properties of 5,8-dibromo-6-fluoro-2-methylquinoline?
5,8-dibromo-6-fluoro-2-methylquinoline has a molecular weight of 318.97 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-6-fluoro-2-methylquinoline is sourced from PubChem (CID 15148590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).