5-chloro-N-hex-5-yn-3-ylpyridin-2-amine

C11H13ClN2 — CID 115658807

IUPAC5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h1,6-8,10H,4-5H2,2H3,(H,13,14)
InChIKeyPLXHOQNEVXDZJP-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine

5-chloro-N-hex-5-yn-3-ylpyridin-2-amine (PubChem CID 115658807) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
PubChem CID115658807
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h1,6-8,10H,4-5H2,2H3,(H,13,14)
InChIKeyPLXHOQNEVXDZJP-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The IUPAC name of 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine (CID 115658807) is 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine is C#CCC(CC)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The InChIKey is PLXHOQNEVXDZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-5-10(4-2)14-11-7-6-9(12)8-13-11/h1,6-8,10H,4-5H2,2H3,(H,13,14).
What are the key properties of 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine has a molecular weight of 208.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hex-5-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 115658807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).