3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine

C9H9N3O — CID 97180386

IUPAC3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)ncn2C[C@@H]1CO1
InChIInChI=1S/C9H9N3O/c1-2-8-9(10-3-1)12(6-11-8)4-7-5-13-7/h1-3,6-7H,4-5H2/t7-/m1/s1
InChIKeyYHNDGPMFHFQYJT-SSDOTTSWSA-N
MW175.19 g/mol
LogP0.83
Rot. Bonds2

About 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine

3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 97180386) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID97180386
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)ncn2C[C@@H]1CO1
InChIInChI=1S/C9H9N3O/c1-2-8-9(10-3-1)12(6-11-8)4-7-5-13-7/h1-3,6-7H,4-5H2/t7-/m1/s1
InChIKeyYHNDGPMFHFQYJT-SSDOTTSWSA-N
XLogP0.83
TPSA43.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine (CID 97180386) is 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine is c1cnc2c(c1)ncn2C[C@@H]1CO1.
What is the InChIKey of 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is YHNDGPMFHFQYJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-8-9(10-3-1)12(6-11-8)4-7-5-13-7/h1-3,6-7H,4-5H2/t7-/m1/s1.
What are the key properties of 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine?
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 175.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 97180386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).