2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride

C13H13BrClNO — CID 14552759

IUPAC2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride
SMILESBrc1ccc(-c2cc3c(o2)CCNC3)cc1.Cl
InChIInChI=1S/C13H12BrNO.ClH/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13;/h1-4,7,15H,5-6,8H2;1H
InChIKeyWOPSLQWPXLTWOF-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.78
Rot. Bonds1

About 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride

2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride (PubChem CID 14552759) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride
PubChem CID14552759
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC Name2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride
SMILESBrc1ccc(-c2cc3c(o2)CCNC3)cc1.Cl
InChIInChI=1S/C13H12BrNO.ClH/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13;/h1-4,7,15H,5-6,8H2;1H
InChIKeyWOPSLQWPXLTWOF-UHFFFAOYSA-N
XLogP3.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride (CID 14552759) is 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride is Brc1ccc(-c2cc3c(o2)CCNC3)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride?
The InChIKey is WOPSLQWPXLTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO.ClH/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13;/h1-4,7,15H,5-6,8H2;1H.
What are the key properties of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride?
2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride has a molecular weight of 314.61 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 14552759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).