5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

C10H11BrFN — CID 12896817

IUPAC5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2c(ccc(F)c2Br)N1
InChIInChI=1S/C10H11BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h4-6,13H,2-3H2,1H3
InChIKeyXHAXMUHHFPDPDH-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.33
Rot. Bonds

About 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 12896817) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID12896817
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2c(ccc(F)c2Br)N1
InChIInChI=1S/C10H11BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h4-6,13H,2-3H2,1H3
InChIKeyXHAXMUHHFPDPDH-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline (CID 12896817) is 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2c(ccc(F)c2Br)N1.
What is the InChIKey of 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XHAXMUHHFPDPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h4-6,13H,2-3H2,1H3.
What are the key properties of 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.11 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 12896817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).