ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate

C16H14BrN3O2 — CID 139049407

IUPACethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2cc(Br)cnc21
InChIInChI=1S/C16H14BrN3O2/c1-2-22-14(21)10-20-15(11-6-4-3-5-7-11)19-13-8-12(17)9-18-16(13)20/h3-9H,2,10H2,1H3
InChIKeyLUSKLUDAPRTHHV-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.42
Rot. Bonds4

About ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate

ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate (PubChem CID 139049407) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate
PubChem CID139049407
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Nameethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2cc(Br)cnc21
InChIInChI=1S/C16H14BrN3O2/c1-2-22-14(21)10-20-15(11-6-4-3-5-7-11)19-13-8-12(17)9-18-16(13)20/h3-9H,2,10H2,1H3
InChIKeyLUSKLUDAPRTHHV-UHFFFAOYSA-N
XLogP3.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate (CID 139049407) is ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate is CCOC(=O)Cn1c(-c2ccccc2)nc2cc(Br)cnc21.
What is the InChIKey of ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate?
The InChIKey is LUSKLUDAPRTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-2-22-14(21)10-20-15(11-6-4-3-5-7-11)19-13-8-12(17)9-18-16(13)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate?
ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate has a molecular weight of 360.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-phenylimidazo[4,5-b]pyridin-3-yl)acetate is sourced from PubChem (CID 139049407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).