ethane;3-ethynylpyridine

C9H11N — CID 143766952

IUPACethane;3-ethynylpyridine
SMILESC#Cc1cccnc1.CC
InChIInChI=1S/C7H5N.C2H6/c1-2-7-4-3-5-8-6-7;1-2/h1,3-6H;1-2H3
InChIKeyIJAPDIRYRTWUPQ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.09
Rot. Bonds

About ethane;3-ethynylpyridine

ethane;3-ethynylpyridine (PubChem CID 143766952) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is ethane;3-ethynylpyridine.

Molecular Properties

Compound Nameethane;3-ethynylpyridine
PubChem CID143766952
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Nameethane;3-ethynylpyridine
SMILESC#Cc1cccnc1.CC
InChIInChI=1S/C7H5N.C2H6/c1-2-7-4-3-5-8-6-7;1-2/h1,3-6H;1-2H3
InChIKeyIJAPDIRYRTWUPQ-UHFFFAOYSA-N
XLogP2.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.09
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

3-ethynylpyridine;2-methyl-4-pyridin-3-ylbut-3-yn-2-ol
CID 161001235
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652
3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
CID 15911031
dichloroplatinum;bis(pyridine-3-carbonitrile)
CID 4683431
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
N-methyl-4-(2-pyridin-3-ylethynyl)aniline
CID 151245112
5-ethynylpyrimidine
CID 1475194
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448
2-pyridin-3-ylethynylboronic acid
CID 57416299

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethynylpyridine?
The IUPAC name of ethane;3-ethynylpyridine (CID 143766952) is ethane;3-ethynylpyridine.
What is the SMILES notation for ethane;3-ethynylpyridine?
The canonical SMILES for ethane;3-ethynylpyridine is C#Cc1cccnc1.CC.
What is the InChIKey of ethane;3-ethynylpyridine?
The InChIKey is IJAPDIRYRTWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.C2H6/c1-2-7-4-3-5-8-6-7;1-2/h1,3-6H;1-2H3.
What are the key properties of ethane;3-ethynylpyridine?
ethane;3-ethynylpyridine has a molecular weight of 133.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethynylpyridine is sourced from PubChem (CID 143766952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).