2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine

C12H17NO2 — CID 169004083

IUPAC2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
SMILESC=C(OCC)c1ccc(OC(C)C)cn1
InChIInChI=1S/C12H17NO2/c1-5-14-10(4)12-7-6-11(8-13-12)15-9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyZTNFAAUJAGYQMI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.88
Rot. Bonds5

About 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine

2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine (PubChem CID 169004083) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
PubChem CID169004083
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
SMILESC=C(OCC)c1ccc(OC(C)C)cn1
InChIInChI=1S/C12H17NO2/c1-5-14-10(4)12-7-6-11(8-13-12)15-9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyZTNFAAUJAGYQMI-UHFFFAOYSA-N
XLogP2.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethoxyethenyl)-5-fluoropyridine
CID 90409536
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
CID 166150412
3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
CID 86716183
ethyl 2-[[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]oxy]butanoate
CID 137154260
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol
CID 67071852
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
6-(1-ethoxyethenyl)-3-fluoro-2-methylpyridine
CID 67324666
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032
2-(1-ethoxyethenyl)-5-methylpyrimidine
CID 14321001

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine?
The IUPAC name of 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine (CID 169004083) is 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine?
The canonical SMILES for 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine is C=C(OCC)c1ccc(OC(C)C)cn1.
What is the InChIKey of 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine?
The InChIKey is ZTNFAAUJAGYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-14-10(4)12-7-6-11(8-13-12)15-9(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine?
2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine has a molecular weight of 207.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine is sourced from PubChem (CID 169004083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).