5-ethynyl-N,6-dimethylpyridin-3-amine

C9H10N2 — CID 138985704

IUPAC5-ethynyl-N,6-dimethylpyridin-3-amine
SMILESC#Cc1cc(NC)cnc1C
InChIInChI=1S/C9H10N2/c1-4-8-5-9(10-3)6-11-7(8)2/h1,5-6,10H,2-3H3
InChIKeyFVAPHARPLNZURF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.41
Rot. Bonds1

About 5-ethynyl-N,6-dimethylpyridin-3-amine

5-ethynyl-N,6-dimethylpyridin-3-amine (PubChem CID 138985704) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-ethynyl-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-ethynyl-N,6-dimethylpyridin-3-amine
PubChem CID138985704
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-ethynyl-N,6-dimethylpyridin-3-amine
SMILESC#Cc1cc(NC)cnc1C
InChIInChI=1S/C9H10N2/c1-4-8-5-9(10-3)6-11-7(8)2/h1,5-6,10H,2-3H3
InChIKeyFVAPHARPLNZURF-UHFFFAOYSA-N
XLogP1.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.41
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-ethynyl-N,6-dimethylpyridin-3-amine?
The IUPAC name of 5-ethynyl-N,6-dimethylpyridin-3-amine (CID 138985704) is 5-ethynyl-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for 5-ethynyl-N,6-dimethylpyridin-3-amine?
The canonical SMILES for 5-ethynyl-N,6-dimethylpyridin-3-amine is C#Cc1cc(NC)cnc1C.
What is the InChIKey of 5-ethynyl-N,6-dimethylpyridin-3-amine?
The InChIKey is FVAPHARPLNZURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-4-8-5-9(10-3)6-11-7(8)2/h1,5-6,10H,2-3H3.
What are the key properties of 5-ethynyl-N,6-dimethylpyridin-3-amine?
5-ethynyl-N,6-dimethylpyridin-3-amine has a molecular weight of 146.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 138985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).