(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate

C14H11N3O3 — CID 69193309

IUPAC(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate
SMILESCC(=O)On1cnc2c(Oc3ccccc3)nccc21
InChIInChI=1S/C14H11N3O3/c1-10(18)20-17-9-16-13-12(17)7-8-15-14(13)19-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyPCMGVOVMHQTZRB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.20
Rot. Bonds3

About (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate

(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate (PubChem CID 69193309) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate.

Molecular Properties

Compound Name(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate
PubChem CID69193309
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate
SMILESCC(=O)On1cnc2c(Oc3ccccc3)nccc21
InChIInChI=1S/C14H11N3O3/c1-10(18)20-17-9-16-13-12(17)7-8-15-14(13)19-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyPCMGVOVMHQTZRB-UHFFFAOYSA-N
XLogP2.20
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate?
The IUPAC name of (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate (CID 69193309) is (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate.
What is the SMILES notation for (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate?
The canonical SMILES for (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate is CC(=O)On1cnc2c(Oc3ccccc3)nccc21.
What is the InChIKey of (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate?
The InChIKey is PCMGVOVMHQTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-10(18)20-17-9-16-13-12(17)7-8-15-14(13)19-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate?
(4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate has a molecular weight of 269.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyimidazo[4,5-c]pyridin-1-yl) acetate is sourced from PubChem (CID 69193309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).