acetylene;2-ethylpyridine

C9H11N — CID 145358493

IUPACacetylene;2-ethylpyridine
SMILESC#C.CCc1ccccn1
InChIInChI=1S/C7H9N.C2H2/c1-2-7-5-3-4-6-8-7;1-2/h3-6H,2H2,1H3;1-2H
InChIKeyPTOGGXMBEWYIMD-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.89
Rot. Bonds1

About acetylene;2-ethylpyridine

acetylene;2-ethylpyridine (PubChem CID 145358493) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is acetylene;2-ethylpyridine.

Molecular Properties

Compound Nameacetylene;2-ethylpyridine
PubChem CID145358493
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Nameacetylene;2-ethylpyridine
SMILESC#C.CCc1ccccn1
InChIInChI=1S/C7H9N.C2H2/c1-2-7-5-3-4-6-8-7;1-2/h3-6H,2H2,1H3;1-2H
InChIKeyPTOGGXMBEWYIMD-UHFFFAOYSA-N
XLogP1.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.89
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

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CID 19020939
ethane;2-ethylpyridine;propan-2-one
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2-ethylpyridine;methanesulfonic acid
CID 86038816
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CID 160860410
2-ethylpyridine;1-fluoro-2-methylbenzene
CID 142160976
ethane;2-ethylpyridine;methane;3-methylpyridine
CID 170793212
ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of acetylene;2-ethylpyridine?
The IUPAC name of acetylene;2-ethylpyridine (CID 145358493) is acetylene;2-ethylpyridine.
What is the SMILES notation for acetylene;2-ethylpyridine?
The canonical SMILES for acetylene;2-ethylpyridine is C#C.CCc1ccccn1.
What is the InChIKey of acetylene;2-ethylpyridine?
The InChIKey is PTOGGXMBEWYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H2/c1-2-7-5-3-4-6-8-7;1-2/h3-6H,2H2,1H3;1-2H.
What are the key properties of acetylene;2-ethylpyridine?
acetylene;2-ethylpyridine has a molecular weight of 133.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-ethylpyridine is sourced from PubChem (CID 145358493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).