5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine

C9H8BrFN2O — CID 162754093

IUPAC5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c(OCCBr)cnc2[nH]ccc12
InChIInChI=1S/C9H8BrFN2O/c10-2-4-14-7-5-13-9-6(8(7)11)1-3-12-9/h1,3,5H,2,4H2,(H,12,13)
InChIKeyDXLFIFMIGQVNQT-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.48
Rot. Bonds3

About 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine

5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162754093) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine
PubChem CID162754093
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1c(OCCBr)cnc2[nH]ccc12
InChIInChI=1S/C9H8BrFN2O/c10-2-4-14-7-5-13-9-6(8(7)11)1-3-12-9/h1,3,5H,2,4H2,(H,12,13)
InChIKeyDXLFIFMIGQVNQT-UHFFFAOYSA-N
XLogP2.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine (CID 162754093) is 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine is Fc1c(OCCBr)cnc2[nH]ccc12.
What is the InChIKey of 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DXLFIFMIGQVNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c10-2-4-14-7-5-13-9-6(8(7)11)1-3-12-9/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 259.08 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethoxy)-4-fluoro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162754093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).