3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine

C11H12Br2N2 — CID 106231623

IUPAC3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CCC)Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5H2,1H3,(H,14,15)
InChIKeyAGIBZZAHBQMLQR-UHFFFAOYSA-N
MW332.04 g/mol
LogP3.82
Rot. Bonds4

About 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine

3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine (PubChem CID 106231623) has the molecular formula C11H12Br2N2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
PubChem CID106231623
Molecular FormulaC11H12Br2N2
Molecular Weight332.04 g/mol
Exact Mass329.94
IUPAC Name3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CCC)Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5H2,1H3,(H,14,15)
InChIKeyAGIBZZAHBQMLQR-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3,5-dibromo-N-hex-1-yn-3-ylpyridin-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

5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
CID 106233126
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
CID 106354418
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
2-chloro-N-hex-1-yn-3-yl-5-methylpyrimidin-4-amine
CID 106232841
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187
3,5-dibromo-N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 104828759
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
1-(hex-1-yn-3-ylamino)isoquinoline-4-carboxylic acid
CID 106231022
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine (CID 106231623) is 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine is C#CC(CCC)Nc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine?
The InChIKey is AGIBZZAHBQMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5H2,1H3,(H,14,15).
What are the key properties of 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine?
3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine has a molecular weight of 332.04 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106231623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).