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

C13H12BrNO — CID 14552758

IUPAC2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESBrc1ccc(-c2cc3c(o2)CCNC3)cc1
InChIInChI=1S/C13H12BrNO/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
InChIKeyIHTFBATWBOWMCE-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.35
Rot. Bonds1

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

2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 14552758) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID14552758
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESBrc1ccc(-c2cc3c(o2)CCNC3)cc1
InChIInChI=1S/C13H12BrNO/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
InChIKeyIHTFBATWBOWMCE-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.35
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?
The IUPAC name of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 14552758) is 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is Brc1ccc(-c2cc3c(o2)CCNC3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is IHTFBATWBOWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/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.
What are the key properties of 2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 278.15 g/mol, XLogP of 3.35, 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 is sourced from PubChem (CID 14552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).