3-bromo-2-chloro-5-methylpyridin-4-amine;ethane

C8H12BrClN2 — CID 144999023

IUPAC3-bromo-2-chloro-5-methylpyridin-4-amine;ethane
SMILESCC.Cc1cnc(Cl)c(Br)c1N
InChIInChI=1S/C6H6BrClN2.C2H6/c1-3-2-10-6(8)4(7)5(3)9;1-2/h2H,1H3,(H2,9,10);1-2H3
InChIKeyOVDKPOFONNRARB-UHFFFAOYSA-N
MW251.55 g/mol
LogP3.41
Rot. Bonds

About 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane

3-bromo-2-chloro-5-methylpyridin-4-amine;ethane (PubChem CID 144999023) has the molecular formula C8H12BrClN2 and a molecular weight of 251.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane.

Molecular Properties

Compound Name3-bromo-2-chloro-5-methylpyridin-4-amine;ethane
PubChem CID144999023
Molecular FormulaC8H12BrClN2
Molecular Weight251.55 g/mol
Exact Mass249.99
IUPAC Name3-bromo-2-chloro-5-methylpyridin-4-amine;ethane
SMILESCC.Cc1cnc(Cl)c(Br)c1N
InChIInChI=1S/C6H6BrClN2.C2H6/c1-3-2-10-6(8)4(7)5(3)9;1-2/h2H,1H3,(H2,9,10);1-2H3
InChIKeyOVDKPOFONNRARB-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane 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-bromo-2-chloro-5-methylpyridin-4-amine;ethane?
The IUPAC name of 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane (CID 144999023) is 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane.
What is the SMILES notation for 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane?
The canonical SMILES for 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane is CC.Cc1cnc(Cl)c(Br)c1N.
What is the InChIKey of 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane?
The InChIKey is OVDKPOFONNRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2.C2H6/c1-3-2-10-6(8)4(7)5(3)9;1-2/h2H,1H3,(H2,9,10);1-2H3.
What are the key properties of 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane?
3-bromo-2-chloro-5-methylpyridin-4-amine;ethane has a molecular weight of 251.55 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-methylpyridin-4-amine;ethane is sourced from PubChem (CID 144999023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).