2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol

C20H16FN3O — CID 10980521

IUPAC2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
SMILESOCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)18-19-17(2-1-9-23-19)24(12-13-25)20(18)15-7-10-22-11-8-15/h1-11,25H,12-13H2
InChIKeyXSXJOLWAPKFGRV-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.90
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol

2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol (PubChem CID 10980521) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
PubChem CID10980521
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
SMILESOCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)18-19-17(2-1-9-23-19)24(12-13-25)20(18)15-7-10-22-11-8-15/h1-11,25H,12-13H2
InChIKeyXSXJOLWAPKFGRV-UHFFFAOYSA-N
XLogP3.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol (CID 10980521) is 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol is OCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The InChIKey is XSXJOLWAPKFGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)18-19-17(2-1-9-23-19)24(12-13-25)20(18)15-7-10-22-11-8-15/h1-11,25H,12-13H2.
What are the key properties of 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol has a molecular weight of 333.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol is sourced from PubChem (CID 10980521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).