3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine

C12H15N3O — CID 75484578

IUPAC3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine
SMILESCCOCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H15N3O/c1-2-16-9-8-15-7-6-14-12(15)11-4-3-5-13-10-11/h3-7,10H,2,8-9H2,1H3
InChIKeyJNSFMCNJYYADHW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds5

About 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine

3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine (PubChem CID 75484578) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine
PubChem CID75484578
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine
SMILESCCOCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H15N3O/c1-2-16-9-8-15-7-6-14-12(15)11-4-3-5-13-10-11/h3-7,10H,2,8-9H2,1H3
InChIKeyJNSFMCNJYYADHW-UHFFFAOYSA-N
XLogP1.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine (CID 75484578) is 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine is CCOCCn1ccnc1-c1cccnc1.
What is the InChIKey of 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine?
The InChIKey is JNSFMCNJYYADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-9-8-15-7-6-14-12(15)11-4-3-5-13-10-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine?
3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine has a molecular weight of 217.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 75484578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).