4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine

C12H12BrNO3 — CID 22112792

IUPAC4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(C3CCOC3)oc12
InChIInChI=1S/C12H12BrNO3/c1-15-12-11-8(9(13)5-14-12)4-10(17-11)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyIBPCQGWKJFPVIT-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.10
Rot. Bonds2

About 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine

4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine (PubChem CID 22112792) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine
PubChem CID22112792
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(C3CCOC3)oc12
InChIInChI=1S/C12H12BrNO3/c1-15-12-11-8(9(13)5-14-12)4-10(17-11)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyIBPCQGWKJFPVIT-UHFFFAOYSA-N
XLogP3.10
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine (CID 22112792) is 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine is COc1ncc(Br)c2cc(C3CCOC3)oc12.
What is the InChIKey of 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine?
The InChIKey is IBPCQGWKJFPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-15-12-11-8(9(13)5-14-12)4-10(17-11)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine?
4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine has a molecular weight of 298.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-2-(oxolan-3-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 22112792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).