N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine

C10H14BrFN2O — CID 80674688

IUPACN-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCOCC(Br)CN(C)c1ncccc1F
InChIInChI=1S/C10H14BrFN2O/c1-14(6-8(11)7-15-2)10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyABKJKWTVFSQYEF-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.07
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine

N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine (PubChem CID 80674688) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
PubChem CID80674688
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC NameN-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCOCC(Br)CN(C)c1ncccc1F
InChIInChI=1S/C10H14BrFN2O/c1-14(6-8(11)7-15-2)10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyABKJKWTVFSQYEF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-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 N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine (CID 80674688) is N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine is COCC(Br)CN(C)c1ncccc1F.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is ABKJKWTVFSQYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-14(6-8(11)7-15-2)10-9(12)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine?
N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 277.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 80674688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).