6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine

C12H16BrNO — CID 66749583

IUPAC6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine
SMILESCCCCCC1Cc2ncc(Br)cc2O1
InChIInChI=1S/C12H16BrNO/c1-2-3-4-5-10-7-11-12(15-10)6-9(13)8-14-11/h6,8,10H,2-5,7H2,1H3
InChIKeyWRVSTUCBTXVYJI-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.73
Rot. Bonds4

About 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine

6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine (PubChem CID 66749583) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine
PubChem CID66749583
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine
SMILESCCCCCC1Cc2ncc(Br)cc2O1
InChIInChI=1S/C12H16BrNO/c1-2-3-4-5-10-7-11-12(15-10)6-9(13)8-14-11/h6,8,10H,2-5,7H2,1H3
InChIKeyWRVSTUCBTXVYJI-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine?
The IUPAC name of 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine (CID 66749583) is 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine?
The canonical SMILES for 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine is CCCCCC1Cc2ncc(Br)cc2O1.
What is the InChIKey of 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine?
The InChIKey is WRVSTUCBTXVYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-3-4-5-10-7-11-12(15-10)6-9(13)8-14-11/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine?
6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine has a molecular weight of 270.17 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pentyl-2,3-dihydrofuro[3,2-b]pyridine is sourced from PubChem (CID 66749583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).