2-ethenyl-N-ethynylpyridin-3-amine

C9H8N2 — CID 123535675

IUPAC2-ethenyl-N-ethynylpyridin-3-amine
SMILESC#CNc1cccnc1C=C
InChIInChI=1S/C9H8N2/c1-3-8-9(10-4-2)6-5-7-11-8/h2-3,5-7,10H,1H2
InChIKeyAFVBIWKBGSPXFV-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.73
Rot. Bonds2

About 2-ethenyl-N-ethynylpyridin-3-amine

2-ethenyl-N-ethynylpyridin-3-amine (PubChem CID 123535675) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-ethenyl-N-ethynylpyridin-3-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethynylpyridin-3-amine
PubChem CID123535675
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-ethenyl-N-ethynylpyridin-3-amine
SMILESC#CNc1cccnc1C=C
InChIInChI=1S/C9H8N2/c1-3-8-9(10-4-2)6-5-7-11-8/h2-3,5-7,10H,1H2
InChIKeyAFVBIWKBGSPXFV-UHFFFAOYSA-N
XLogP1.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethenylpyridin-3-amine
CID 19847965
N-[1-(3-ethenylphenyl)ethenyl]quinolin-8-amine
CID 167114615
(1R)-1-(2-ethenyl-3-pyridinyl)-N-methylethanamine
CID 74890359
2,3-bis(ethenyl)pyrazine;quinoline
CID 142369879
2-ethenyl-3-(2-methylpentan-2-yl)pyridine
CID 130178761
1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine
CID 145108183
3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile
CID 57081275
3-cyclohexyl-2-ethenylpyridine
CID 154099214
3-ethenyl-1,10-phenanthroline
CID 58813469
2-ethenyl-N-phenylpyridine-3-carboxamide
CID 144514888
N-methoxyquinolin-8-amine
CID 143696561
(1S)-1-(2-ethenyl-3-pyridinyl)propan-1-amine
CID 74788873

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethynylpyridin-3-amine?
The IUPAC name of 2-ethenyl-N-ethynylpyridin-3-amine (CID 123535675) is 2-ethenyl-N-ethynylpyridin-3-amine.
What is the SMILES notation for 2-ethenyl-N-ethynylpyridin-3-amine?
The canonical SMILES for 2-ethenyl-N-ethynylpyridin-3-amine is C#CNc1cccnc1C=C.
What is the InChIKey of 2-ethenyl-N-ethynylpyridin-3-amine?
The InChIKey is AFVBIWKBGSPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-3-8-9(10-4-2)6-5-7-11-8/h2-3,5-7,10H,1H2.
What are the key properties of 2-ethenyl-N-ethynylpyridin-3-amine?
2-ethenyl-N-ethynylpyridin-3-amine has a molecular weight of 144.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethynylpyridin-3-amine is sourced from PubChem (CID 123535675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).