5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine

C13H15FN2O2 — CID 155895293

IUPAC5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]c(COC3CCCCO3)cc2c1
InChIInChI=1S/C13H15FN2O2/c14-10-5-9-6-11(16-13(9)15-7-10)8-18-12-3-1-2-4-17-12/h5-7,12H,1-4,8H2,(H,15,16)
InChIKeyYVDVBIQFYGTKNP-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.75
Rot. Bonds3

About 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine

5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 155895293) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID155895293
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]c(COC3CCCCO3)cc2c1
InChIInChI=1S/C13H15FN2O2/c14-10-5-9-6-11(16-13(9)15-7-10)8-18-12-3-1-2-4-17-12/h5-7,12H,1-4,8H2,(H,15,16)
InChIKeyYVDVBIQFYGTKNP-UHFFFAOYSA-N
XLogP2.75
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine (CID 155895293) is 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]c(COC3CCCCO3)cc2c1.
What is the InChIKey of 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YVDVBIQFYGTKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-5-9-6-11(16-13(9)15-7-10)8-18-12-3-1-2-4-17-12/h5-7,12H,1-4,8H2,(H,15,16).
What are the key properties of 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 250.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(oxan-2-yloxymethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155895293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).