1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine

C13H14BrN3 — CID 104801802

IUPAC1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
SMILESNC(Cc1ccncc1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H14BrN3/c14-11-1-2-13(17-9-11)8-12(15)7-10-3-5-16-6-4-10/h1-6,9,12H,7-8,15H2
InChIKeyXHZJJBJEQFBGDY-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.35
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine (PubChem CID 104801802) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
PubChem CID104801802
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
SMILESNC(Cc1ccncc1)Cc1ccc(Br)cn1
InChIInChI=1S/C13H14BrN3/c14-11-1-2-13(17-9-11)8-12(15)7-10-3-5-16-6-4-10/h1-6,9,12H,7-8,15H2
InChIKeyXHZJJBJEQFBGDY-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-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

Related Compounds

1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine (CID 104801802) is 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine is NC(Cc1ccncc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine?
The InChIKey is XHZJJBJEQFBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-11-1-2-13(17-9-11)8-12(15)7-10-3-5-16-6-4-10/h1-6,9,12H,7-8,15H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine has a molecular weight of 292.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 104801802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).