3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

C13H14BrNO3 — CID 143456770

IUPAC3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESCOc1nc2c(cc1Br)C1(CCCCC1)OC2=O
InChIInChI=1S/C13H14BrNO3/c1-17-11-9(14)7-8-10(15-11)12(16)18-13(8)5-3-2-4-6-13/h7H,2-6H2,1H3
InChIKeyJFUCLLOOSOSLGR-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.18
Rot. Bonds1

About 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (PubChem CID 143456770) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.

Molecular Properties

Compound Name3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
PubChem CID143456770
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESCOc1nc2c(cc1Br)C1(CCCCC1)OC2=O
InChIInChI=1S/C13H14BrNO3/c1-17-11-9(14)7-8-10(15-11)12(16)18-13(8)5-3-2-4-6-13/h7H,2-6H2,1H3
InChIKeyJFUCLLOOSOSLGR-UHFFFAOYSA-N
XLogP3.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The IUPAC name of 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (CID 143456770) is 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.
What is the SMILES notation for 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The canonical SMILES for 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is COc1nc2c(cc1Br)C1(CCCCC1)OC2=O.
What is the InChIKey of 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The InChIKey is JFUCLLOOSOSLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-17-11-9(14)7-8-10(15-11)12(16)18-13(8)5-3-2-4-6-13/h7H,2-6H2,1H3.
What are the key properties of 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one has a molecular weight of 312.16 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromo-2'-methoxyspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is sourced from PubChem (CID 143456770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).