5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine

C14H14BrClN2 — CID 63445592

IUPAC5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(Br)cc1CCl
InChIInChI=1S/C14H14BrClN2/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9H2,1H3
InChIKeyFPYSCZCHFNUUIO-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.74
Rot. Bonds4

About 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine

5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine (PubChem CID 63445592) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
PubChem CID63445592
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(Br)cc1CCl
InChIInChI=1S/C14H14BrClN2/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9H2,1H3
InChIKeyFPYSCZCHFNUUIO-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-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 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine (CID 63445592) is 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine is CCN(c1ccccc1)c1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
The InChIKey is FPYSCZCHFNUUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-2-18(13-6-4-3-5-7-13)14-11(9-16)8-12(15)10-17-14/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 63445592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).