3-chloro-N-pent-1-yn-3-ylpyridin-4-amine

C10H11ClN2 — CID 106231343

IUPAC3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
SMILESC#CC(CC)Nc1ccncc1Cl
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeyMNIFFHUUOQBPCS-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.56
Rot. Bonds3

About 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine

3-chloro-N-pent-1-yn-3-ylpyridin-4-amine (PubChem CID 106231343) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
PubChem CID106231343
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
SMILESC#CC(CC)Nc1ccncc1Cl
InChIInChI=1S/C10H11ClN2/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h1,5-8H,4H2,2H3,(H,12,13)
InChIKeyMNIFFHUUOQBPCS-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': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The IUPAC name of 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine (CID 106231343) is 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine is C#CC(CC)Nc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
The InChIKey is MNIFFHUUOQBPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h1,5-8H,4H2,2H3,(H,12,13).
What are the key properties of 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine?
3-chloro-N-pent-1-yn-3-ylpyridin-4-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 3-chloro-N-pent-1-yn-3-ylpyridin-4-amine is sourced from PubChem (CID 106231343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).