1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone

C10H8BrNO3 — CID 22112798

IUPAC1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone
SMILESCOc1ncc(Br)c2cc(C(C)=O)oc12
InChIInChI=1S/C10H8BrNO3/c1-5(13)8-3-6-7(11)4-12-10(14-2)9(6)15-8/h3-4H,1-2H3
InChIKeyDZJMYCPMJJJNBQ-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone

1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone (PubChem CID 22112798) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone
PubChem CID22112798
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone
SMILESCOc1ncc(Br)c2cc(C(C)=O)oc12
InChIInChI=1S/C10H8BrNO3/c1-5(13)8-3-6-7(11)4-12-10(14-2)9(6)15-8/h3-4H,1-2H3
InChIKeyDZJMYCPMJJJNBQ-UHFFFAOYSA-N
XLogP2.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone (CID 22112798) is 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone is COc1ncc(Br)c2cc(C(C)=O)oc12.
What is the InChIKey of 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone?
The InChIKey is DZJMYCPMJJJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-5(13)8-3-6-7(11)4-12-10(14-2)9(6)15-8/h3-4H,1-2H3.
What are the key properties of 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone?
1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone has a molecular weight of 270.08 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 22112798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).