5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine

C13H13BrClN3 — CID 103517880

IUPAC5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3/c1-8(9-4-2-3-5-11(9)15)18-13-10(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyCCTLFUUKNXAPSD-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine (PubChem CID 103517880) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
PubChem CID103517880
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Br)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3/c1-8(9-4-2-3-5-11(9)15)18-13-10(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyCCTLFUUKNXAPSD-UHFFFAOYSA-N
XLogP4.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-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-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802259
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine (CID 103517880) is 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine is CC(Nc1c(N)cncc1Br)c1ccccc1Cl.
What is the InChIKey of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine?
The InChIKey is CCTLFUUKNXAPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8(9-4-2-3-5-11(9)15)18-13-10(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine has a molecular weight of 326.63 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103517880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).