3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

C10H14BrFN2O — CID 118498702

IUPAC3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Br)c(F)n1
InChIInChI=1S/C10H14BrFN2O/c1-14(2)6-3-7-15-9-5-4-8(11)10(12)13-9/h4-5H,3,6-7H2,1-2H3
InChIKeyYETQBECFGDMUGT-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.31
Rot. Bonds5

About 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 118498702) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID118498702
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(Br)c(F)n1
InChIInChI=1S/C10H14BrFN2O/c1-14(2)6-3-7-15-9-5-4-8(11)10(12)13-9/h4-5H,3,6-7H2,1-2H3
InChIKeyYETQBECFGDMUGT-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine 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 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (CID 118498702) is 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(Br)c(F)n1.
What is the InChIKey of 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is YETQBECFGDMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-14(2)6-3-7-15-9-5-4-8(11)10(12)13-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 277.14 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-fluoro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 118498702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).