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

C10H6Br2FN — CID 107594212

IUPAC2,5-dibromo-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2ccc(Br)nc12
InChIInChI=1S/C10H6Br2FN/c1-5-4-7(13)9(12)6-2-3-8(11)14-10(5)6/h2-4H,1H3
InChIKeyNLSBIXRNYUMGOS-UHFFFAOYSA-N
MW318.97 g/mol
LogP4.21
Rot. Bonds

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

2,5-dibromo-6-fluoro-8-methylquinoline (PubChem CID 107594212) has the molecular formula C10H6Br2FN and a molecular weight of 318.97 g/mol. Its IUPAC name is 2,5-dibromo-6-fluoro-8-methylquinoline.

Molecular Properties

Compound Name2,5-dibromo-6-fluoro-8-methylquinoline
PubChem CID107594212
Molecular FormulaC10H6Br2FN
Molecular Weight318.97 g/mol
Exact Mass316.89
IUPAC Name2,5-dibromo-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2ccc(Br)nc12
InChIInChI=1S/C10H6Br2FN/c1-5-4-7(13)9(12)6-2-3-8(11)14-10(5)6/h2-4H,1H3
InChIKeyNLSBIXRNYUMGOS-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-6-fluoro-8-methylquinoline?
The IUPAC name of 2,5-dibromo-6-fluoro-8-methylquinoline (CID 107594212) is 2,5-dibromo-6-fluoro-8-methylquinoline.
What is the SMILES notation for 2,5-dibromo-6-fluoro-8-methylquinoline?
The canonical SMILES for 2,5-dibromo-6-fluoro-8-methylquinoline is Cc1cc(F)c(Br)c2ccc(Br)nc12.
What is the InChIKey of 2,5-dibromo-6-fluoro-8-methylquinoline?
The InChIKey is NLSBIXRNYUMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FN/c1-5-4-7(13)9(12)6-2-3-8(11)14-10(5)6/h2-4H,1H3.
What are the key properties of 2,5-dibromo-6-fluoro-8-methylquinoline?
2,5-dibromo-6-fluoro-8-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 2,5-dibromo-6-fluoro-8-methylquinoline is sourced from PubChem (CID 107594212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).