methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate

C10H8BrNO3 — CID 177101640

IUPACmethyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1coc2cnc(Br)cc12
InChIInChI=1S/C10H8BrNO3/c1-14-10(13)2-6-5-15-8-4-12-9(11)3-7(6)8/h3-5H,2H2,1H3
InChIKeyOVAONTLMHXITJA-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate

methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate (PubChem CID 177101640) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate
PubChem CID177101640
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Namemethyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1coc2cnc(Br)cc12
InChIInChI=1S/C10H8BrNO3/c1-14-10(13)2-6-5-15-8-4-12-9(11)3-7(6)8/h3-5H,2H2,1H3
InChIKeyOVAONTLMHXITJA-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate 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 methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate (CID 177101640) is methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate is COC(=O)Cc1coc2cnc(Br)cc12.
What is the InChIKey of methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate?
The InChIKey is OVAONTLMHXITJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-14-10(13)2-6-5-15-8-4-12-9(11)3-7(6)8/h3-5H,2H2,1H3.
What are the key properties of methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate?
methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate has a molecular weight of 270.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate is sourced from PubChem (CID 177101640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).