5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine

C11H12N2O2 — CID 59774837

IUPAC5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(O[C@@H]3CCOC3)cnc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-3-12-11-8(1)5-10(6-13-11)15-9-2-4-14-7-9/h1,3,5-6,9H,2,4,7H2,(H,12,13)/t9-/m1/s1
InChIKeyLLKMMFDYSDZMEX-SECBINFHSA-N
MW204.23 g/mol
LogP1.73
Rot. Bonds2

About 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine

5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59774837) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID59774837
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(O[C@@H]3CCOC3)cnc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-3-12-11-8(1)5-10(6-13-11)15-9-2-4-14-7-9/h1,3,5-6,9H,2,4,7H2,(H,12,13)/t9-/m1/s1
InChIKeyLLKMMFDYSDZMEX-SECBINFHSA-N
XLogP1.73
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
3-(oxan-3-yloxy)quinoline
CID 107388074
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 59774841
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
2-(oxolan-3-yloxy)quinazoline
CID 67362717
2-methyl-6-(oxolan-3-yloxy)isoquinolin-2-ium
CID 21418206
methyl 5-[4-(oxolan-3-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 167887587
3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332651

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine (CID 59774837) is 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine is c1cc2cc(O[C@@H]3CCOC3)cnc2[nH]1.
What is the InChIKey of 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LLKMMFDYSDZMEX-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-12-11-8(1)5-10(6-13-11)15-9-2-4-14-7-9/h1,3,5-6,9H,2,4,7H2,(H,12,13)/t9-/m1/s1.
What are the key properties of 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 204.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).