4-propoxy-1H-pyrrolo[2,3-b]pyridine

C10H12N2O — CID 24801187

IUPAC4-propoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccnc2[nH]ccc12
InChIInChI=1S/C10H12N2O/c1-2-7-13-9-4-6-12-10-8(9)3-5-11-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyHSKZWIBUTZHXOR-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.35
Rot. Bonds3

About 4-propoxy-1H-pyrrolo[2,3-b]pyridine

4-propoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24801187) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-propoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-propoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID24801187
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-propoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccnc2[nH]ccc12
InChIInChI=1S/C10H12N2O/c1-2-7-13-9-4-6-12-10-8(9)3-5-11-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyHSKZWIBUTZHXOR-UHFFFAOYSA-N
XLogP2.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-propoxy-1H-pyrrolo[2,3-b]pyridine (CID 24801187) is 4-propoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-propoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-propoxy-1H-pyrrolo[2,3-b]pyridine is CCCOc1ccnc2[nH]ccc12.
What is the InChIKey of 4-propoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HSKZWIBUTZHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-13-9-4-6-12-10-8(9)3-5-11-10/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 4-propoxy-1H-pyrrolo[2,3-b]pyridine?
4-propoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24801187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).