[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate

C14H11N3O2 — CID 10083598

IUPAC[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C14H11N3O2/c1-9(18)19-12-7-3-2-5-10(12)13-16-11-6-4-8-15-14(11)17-13/h2-8H,1H3,(H,15,16,17)
InChIKeyBUOUYIWCRIZRLZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.55
Rot. Bonds2

About [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate

[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate (PubChem CID 10083598) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
PubChem CID10083598
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C14H11N3O2/c1-9(18)19-12-7-3-2-5-10(12)13-16-11-6-4-8-15-14(11)17-13/h2-8H,1H3,(H,15,16,17)
InChIKeyBUOUYIWCRIZRLZ-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate?
The IUPAC name of [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate (CID 10083598) is [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate.
What is the SMILES notation for [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate?
The canonical SMILES for [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate is CC(=O)Oc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate?
The InChIKey is BUOUYIWCRIZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9(18)19-12-7-3-2-5-10(12)13-16-11-6-4-8-15-14(11)17-13/h2-8H,1H3,(H,15,16,17).
What are the key properties of [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate?
[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate has a molecular weight of 253.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate is sourced from PubChem (CID 10083598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).