5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine

C15H13FN2O2 — CID 146632979

IUPAC5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCc1ccc(F)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H13FN2O2/c1-19-9-11-2-3-12(16)7-14(11)20-13-6-10-4-5-17-15(10)18-8-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIALJACILPDWCHQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.64
Rot. Bonds4

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

5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146632979) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146632979
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCc1ccc(F)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H13FN2O2/c1-19-9-11-2-3-12(16)7-14(11)20-13-6-10-4-5-17-15(10)18-8-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIALJACILPDWCHQ-UHFFFAOYSA-N
XLogP3.64
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine (CID 146632979) is 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine is COCc1ccc(F)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IALJACILPDWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-9-11-2-3-12(16)7-14(11)20-13-6-10-4-5-17-15(10)18-8-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 272.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(methoxymethyl)phenoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146632979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).