4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine

C12H14N4O3 — CID 164619651

IUPAC4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine
SMILESCc1ncc([N+](=O)[O-])n1CCOCc1ccncc1
InChIInChI=1S/C12H14N4O3/c1-10-14-8-12(16(17)18)15(10)6-7-19-9-11-2-4-13-5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyRAMHPOWCPOPESQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds6

About 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine

4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine (PubChem CID 164619651) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine
PubChem CID164619651
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine
SMILESCc1ncc([N+](=O)[O-])n1CCOCc1ccncc1
InChIInChI=1S/C12H14N4O3/c1-10-14-8-12(16(17)18)15(10)6-7-19-9-11-2-4-13-5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyRAMHPOWCPOPESQ-UHFFFAOYSA-N
XLogP1.71
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine?
The IUPAC name of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine (CID 164619651) is 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine.
What is the SMILES notation for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine?
The canonical SMILES for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine is Cc1ncc([N+](=O)[O-])n1CCOCc1ccncc1.
What is the InChIKey of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine?
The InChIKey is RAMHPOWCPOPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-10-14-8-12(16(17)18)15(10)6-7-19-9-11-2-4-13-5-3-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine?
4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine has a molecular weight of 262.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxymethyl]pyridine is sourced from PubChem (CID 164619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).