5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine

C13H13BrClN3 — CID 61380799

IUPAC5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H13BrClN3/c14-10-7-12(16)13(18-8-10)17-6-5-9-1-3-11(15)4-2-9/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyGSIKJKLCSVLHQB-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine

5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine (PubChem CID 61380799) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
PubChem CID61380799
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H13BrClN3/c14-10-7-12(16)13(18-8-10)17-6-5-9-1-3-11(15)4-2-9/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyGSIKJKLCSVLHQB-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 116795747
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine (CID 61380799) is 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine is Nc1cc(Br)cnc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is GSIKJKLCSVLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-10-7-12(16)13(18-8-10)17-6-5-9-1-3-11(15)4-2-9/h1-4,7-8H,5-6,16H2,(H,17,18).
What are the key properties of 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine?
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 326.63 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 61380799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).