5-ethynyl-2-[(E)-prop-1-enyl]pyridine

C10H9N — CID 176891073

IUPAC5-ethynyl-2-[(E)-prop-1-enyl]pyridine
SMILESC#Cc1ccc(/C=C/C)nc1
InChIInChI=1S/C10H9N/c1-3-5-10-7-6-9(4-2)8-11-10/h2-3,5-8H,1H3/b5-3+
InChIKeyTYFYPIJRDALDJJ-HWKANZROSA-N
MW143.19 g/mol
LogP2.10
Rot. Bonds1

About 5-ethynyl-2-[(E)-prop-1-enyl]pyridine

5-ethynyl-2-[(E)-prop-1-enyl]pyridine (PubChem CID 176891073) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-ethynyl-2-[(E)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name5-ethynyl-2-[(E)-prop-1-enyl]pyridine
PubChem CID176891073
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name5-ethynyl-2-[(E)-prop-1-enyl]pyridine
SMILESC#Cc1ccc(/C=C/C)nc1
InChIInChI=1S/C10H9N/c1-3-5-10-7-6-9(4-2)8-11-10/h2-3,5-8H,1H3/b5-3+
InChIKeyTYFYPIJRDALDJJ-HWKANZROSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-bromoethenyl]-5-ethynylpyridine
CID 58937457
methyl 3-(5-ethynyl-2-pyridinyl)prop-2-enoate
CID 175221473
5-ethynyl-2-[(E)-4-(6-hexyl-3-pyridinyl)but-1-en-3-ynyl]pyridine
CID 58937445
5-ethynyl-2-propylpyridine
CID 58235218
2-prop-1-enyl-5-propylpyridine
CID 54200611
6-[(E)-but-1-enyl]pyridine-3-carbonitrile
CID 154695168
5-(4-chlorobutyl)-2-prop-1-enylpyridine
CID 131881094
2-(2,3-dimethylphenyl)-5-ethynylpyridine
CID 175646937
methyl 5-ethynylpyridine-2-carboxylate
CID 568567
tert-butyl-dimethyl-[[6-[(E)-prop-1-enyl]-3-pyridinyl]oxy]silane
CID 59131633
cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)
CID 175709883
5-ethynyl-2-(4-methylimidazol-1-yl)pyridine
CID 59472788

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-[(E)-prop-1-enyl]pyridine?
The IUPAC name of 5-ethynyl-2-[(E)-prop-1-enyl]pyridine (CID 176891073) is 5-ethynyl-2-[(E)-prop-1-enyl]pyridine.
What is the SMILES notation for 5-ethynyl-2-[(E)-prop-1-enyl]pyridine?
The canonical SMILES for 5-ethynyl-2-[(E)-prop-1-enyl]pyridine is C#Cc1ccc(/C=C/C)nc1.
What is the InChIKey of 5-ethynyl-2-[(E)-prop-1-enyl]pyridine?
The InChIKey is TYFYPIJRDALDJJ-HWKANZROSA-N. The full InChI is InChI=1S/C10H9N/c1-3-5-10-7-6-9(4-2)8-11-10/h2-3,5-8H,1H3/b5-3+.
What are the key properties of 5-ethynyl-2-[(E)-prop-1-enyl]pyridine?
5-ethynyl-2-[(E)-prop-1-enyl]pyridine has a molecular weight of 143.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-[(E)-prop-1-enyl]pyridine is sourced from PubChem (CID 176891073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).