6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine

C13H13BrClN3 — CID 103481895

IUPAC6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-2-16-11-7-4-8-12(18-11)17-10-6-3-5-9(15)13(10)14/h3-8H,2H2,1H3,(H2,16,17,18)
InChIKeyIYBFUUHNJLMAFP-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.67
Rot. Bonds4

About 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 103481895) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID103481895
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-2-16-11-7-4-8-12(18-11)17-10-6-3-5-9(15)13(10)14/h3-8H,2H2,1H3,(H2,16,17,18)
InChIKeyIYBFUUHNJLMAFP-UHFFFAOYSA-N
XLogP4.67
TPSA36.95 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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-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

4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
8-N-(2-bromo-3-chlorophenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 103481971
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 80762738
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine (CID 103481895) is 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is IYBFUUHNJLMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-2-16-11-7-4-8-12(18-11)17-10-6-3-5-9(15)13(10)14/h3-8H,2H2,1H3,(H2,16,17,18).
What are the key properties of 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 326.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 103481895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).