5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine

C11H14BrN3 — CID 106233126

IUPAC5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
SMILESC#CC(CCC)Nc1ncc(Br)cc1N
InChIInChI=1S/C11H14BrN3/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyONWNCHOTAOFCPY-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.64
Rot. Bonds4

About 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine

5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine (PubChem CID 106233126) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
PubChem CID106233126
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
SMILESC#CC(CCC)Nc1ncc(Br)cc1N
InChIInChI=1S/C11H14BrN3/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyONWNCHOTAOFCPY-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231623
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
CID 63406303
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
2-chloro-N-hex-1-yn-3-yl-5-methylpyrimidin-4-amine
CID 106232841
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine (CID 106233126) is 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine is C#CC(CCC)Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine?
The InChIKey is ONWNCHOTAOFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-5-9(4-2)15-11-10(13)6-8(12)7-14-11/h2,6-7,9H,3,5,13H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine?
5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine has a molecular weight of 268.16 g/mol, XLogP of 2.64, 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-hex-1-yn-3-ylpyridine-2,3-diamine is sourced from PubChem (CID 106233126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).