4-ethynylpyridin-2-amine

C7H6N2 — CID 21097262

IUPAC4-ethynylpyridin-2-amine
SMILESC#Cc1ccnc(N)c1
InChIInChI=1S/C7H6N2/c1-2-6-3-4-9-7(8)5-6/h1,3-5H,(H2,8,9)
InChIKeyIVHOXQCVRPYIDC-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.65
Rot. Bonds

About 4-ethynylpyridin-2-amine

4-ethynylpyridin-2-amine (PubChem CID 21097262) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 4-ethynylpyridin-2-amine.

Molecular Properties

Compound Name4-ethynylpyridin-2-amine
PubChem CID21097262
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name4-ethynylpyridin-2-amine
SMILESC#Cc1ccnc(N)c1
InChIInChI=1S/C7H6N2/c1-2-6-3-4-9-7(8)5-6/h1,3-5H,(H2,8,9)
InChIKeyIVHOXQCVRPYIDC-UHFFFAOYSA-N
XLogP0.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.65
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 4-ethynylpyridin-2-amine?
The IUPAC name of 4-ethynylpyridin-2-amine (CID 21097262) is 4-ethynylpyridin-2-amine.
What is the SMILES notation for 4-ethynylpyridin-2-amine?
The canonical SMILES for 4-ethynylpyridin-2-amine is C#Cc1ccnc(N)c1.
What is the InChIKey of 4-ethynylpyridin-2-amine?
The InChIKey is IVHOXQCVRPYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-3-4-9-7(8)5-6/h1,3-5H,(H2,8,9).
What are the key properties of 4-ethynylpyridin-2-amine?
4-ethynylpyridin-2-amine has a molecular weight of 118.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynylpyridin-2-amine is sourced from PubChem (CID 21097262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).