7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine

C17H16FN3O3 — CID 175883661

IUPAC7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cc(OC[C@H]2COCCO2)c2[nH]cc(-c3ccccn3)c2n1
InChIInChI=1S/C17H16FN3O3/c18-15-7-14(24-10-11-9-22-5-6-23-11)17-16(21-15)12(8-20-17)13-3-1-2-4-19-13/h1-4,7-8,11,20H,5-6,9-10H2/t11-/m1/s1
InChIKeyBINZHEWMNNCUEF-LLVKDONJSA-N
MW329.33 g/mol
LogP2.56
Rot. Bonds4

About 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine

7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 175883661) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID175883661
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESFc1cc(OC[C@H]2COCCO2)c2[nH]cc(-c3ccccn3)c2n1
InChIInChI=1S/C17H16FN3O3/c18-15-7-14(24-10-11-9-22-5-6-23-11)17-16(21-15)12(8-20-17)13-3-1-2-4-19-13/h1-4,7-8,11,20H,5-6,9-10H2/t11-/m1/s1
InChIKeyBINZHEWMNNCUEF-LLVKDONJSA-N
XLogP2.56
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 175883661) is 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine is Fc1cc(OC[C@H]2COCCO2)c2[nH]cc(-c3ccccn3)c2n1.
What is the InChIKey of 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is BINZHEWMNNCUEF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-15-7-14(24-10-11-9-22-5-6-23-11)17-16(21-15)12(8-20-17)13-3-1-2-4-19-13/h1-4,7-8,11,20H,5-6,9-10H2/t11-/m1/s1.
What are the key properties of 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine?
7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 329.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175883661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).