4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine

C13H9BrN2O2 — CID 22112819

IUPAC4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(-c3cccnc3)oc12
InChIInChI=1S/C13H9BrN2O2/c1-17-13-12-9(10(14)7-16-13)5-11(18-12)8-3-2-4-15-6-8/h2-7H,1H3
InChIKeySKAQGBWYUIFKSZ-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.66
Rot. Bonds2

About 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine

4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine (PubChem CID 22112819) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine
PubChem CID22112819
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(-c3cccnc3)oc12
InChIInChI=1S/C13H9BrN2O2/c1-17-13-12-9(10(14)7-16-13)5-11(18-12)8-3-2-4-15-6-8/h2-7H,1H3
InChIKeySKAQGBWYUIFKSZ-UHFFFAOYSA-N
XLogP3.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.66
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-pyridin-3-ylfuro[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine (CID 22112819) is 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine is COc1ncc(Br)c2cc(-c3cccnc3)oc12.
What is the InChIKey of 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine?
The InChIKey is SKAQGBWYUIFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-17-13-12-9(10(14)7-16-13)5-11(18-12)8-3-2-4-15-6-8/h2-7H,1H3.
What are the key properties of 4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine?
4-bromo-7-methoxy-2-pyridin-3-ylfuro[2,3-c]pyridine has a molecular weight of 305.13 g/mol, XLogP of 3.66, 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-pyridin-3-ylfuro[2,3-c]pyridine is sourced from PubChem (CID 22112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).