3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol

C14H10F3N3O — CID 63757477

IUPAC3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
SMILESCCn1c(-c2cc(F)c(F)c(O)c2F)nc2cccnc21
InChIInChI=1S/C14H10F3N3O/c1-2-20-13(19-9-4-3-5-18-14(9)20)7-6-8(15)11(17)12(21)10(7)16/h3-6,21H,2H2,1H3
InChIKeyVOMYIVUTUIAIPR-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.24
Rot. Bonds2

About 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol

3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol (PubChem CID 63757477) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol.

Molecular Properties

Compound Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
PubChem CID63757477
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
SMILESCCn1c(-c2cc(F)c(F)c(O)c2F)nc2cccnc21
InChIInChI=1S/C14H10F3N3O/c1-2-20-13(19-9-4-3-5-18-14(9)20)7-6-8(15)11(17)12(21)10(7)16/h3-6,21H,2H2,1H3
InChIKeyVOMYIVUTUIAIPR-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol?
The IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol (CID 63757477) is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol.
What is the SMILES notation for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol?
The canonical SMILES for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol is CCn1c(-c2cc(F)c(F)c(O)c2F)nc2cccnc21.
What is the InChIKey of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol?
The InChIKey is VOMYIVUTUIAIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-2-20-13(19-9-4-3-5-18-14(9)20)7-6-8(15)11(17)12(21)10(7)16/h3-6,21H,2H2,1H3.
What are the key properties of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol?
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol has a molecular weight of 293.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol is sourced from PubChem (CID 63757477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).