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

C11H13ClN2 — CID 106195659

IUPAC6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2/c1-3-6-9(4-2)13-11-8-5-7-10(12)14-11/h1,5,7-9H,4,6H2,2H3,(H,13,14)
InChIKeyDSCKQADQYPTADB-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.95
Rot. Bonds4

About 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine

6-chloro-N-hex-5-yn-3-ylpyridin-2-amine (PubChem CID 106195659) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
PubChem CID106195659
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2/c1-3-6-9(4-2)13-11-8-5-7-10(12)14-11/h1,5,7-9H,4,6H2,2H3,(H,13,14)
InChIKeyDSCKQADQYPTADB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine (CID 106195659) is 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine is C#CCC(CC)Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
The InChIKey is DSCKQADQYPTADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-6-9(4-2)13-11-8-5-7-10(12)14-11/h1,5,7-9H,4,6H2,2H3,(H,13,14).
What are the key properties of 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine?
6-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 6-chloro-N-hex-5-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106195659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).