5-methoxy-1H-pyrrolo[2,3-b]pyridine

C8H8N2O — CID 10307871

IUPAC5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
InChIKeyAFUFCCUQHGSNAN-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.57
Rot. Bonds1

About 5-methoxy-1H-pyrrolo[2,3-b]pyridine

5-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10307871) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID10307871
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
InChIKeyAFUFCCUQHGSNAN-UHFFFAOYSA-N
XLogP1.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 10307871) is 5-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AFUFCCUQHGSNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10).
What are the key properties of 5-methoxy-1H-pyrrolo[2,3-b]pyridine?
5-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 148.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10307871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).