4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine

C10H12N2O2 — CID 20784469

IUPAC4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccnc2[nH]ccc12
InChIInChI=1S/C10H12N2O2/c1-13-6-7-14-9-3-5-12-10-8(9)2-4-11-10/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyFGFGGPCIRMKVKP-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.59
Rot. Bonds4

About 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine

4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 20784469) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID20784469
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccnc2[nH]ccc12
InChIInChI=1S/C10H12N2O2/c1-13-6-7-14-9-3-5-12-10-8(9)2-4-11-10/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyFGFGGPCIRMKVKP-UHFFFAOYSA-N
XLogP1.59
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine (CID 20784469) is 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine is COCCOc1ccnc2[nH]ccc12.
What is the InChIKey of 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FGFGGPCIRMKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-6-7-14-9-3-5-12-10-8(9)2-4-11-10/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine?
4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 192.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 20784469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).