6-chloro-N-pent-1-yn-3-ylpyridin-2-amine

C10H11ClN2 — CID 106232727

IUPAC6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)12-10-7-5-6-9(11)13-10/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeySGEPMYTVZHUFPX-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.56
Rot. Bonds3

About 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine

6-chloro-N-pent-1-yn-3-ylpyridin-2-amine (PubChem CID 106232727) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
PubChem CID106232727
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)12-10-7-5-6-9(11)13-10/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeySGEPMYTVZHUFPX-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.56
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-pent-1-yn-3-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine (CID 106232727) is 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine is C#CC(CC)Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine?
The InChIKey is SGEPMYTVZHUFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-8(4-2)12-10-7-5-6-9(11)13-10/h1,5-8H,4H2,2H3,(H,12,13).
What are the key properties of 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine?
6-chloro-N-pent-1-yn-3-ylpyridin-2-amine has a molecular weight of 194.67 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pent-1-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106232727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).