ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate

C17H13NO4 — CID 118090471

IUPACethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cncc3cc(C=O)oc23)c1
InChIInChI=1S/C17H13NO4/c1-2-21-17(20)12-5-3-4-11(6-12)15-9-18-8-13-7-14(10-19)22-16(13)15/h3-10H,2H2,1H3
InChIKeyYGVLMAWAXVWREW-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.48
Rot. Bonds4

About ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate

ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate (PubChem CID 118090471) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate
PubChem CID118090471
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Nameethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cncc3cc(C=O)oc23)c1
InChIInChI=1S/C17H13NO4/c1-2-21-17(20)12-5-3-4-11(6-12)15-9-18-8-13-7-14(10-19)22-16(13)15/h3-10H,2H2,1H3
InChIKeyYGVLMAWAXVWREW-UHFFFAOYSA-N
XLogP3.48
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate 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 ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate?
The IUPAC name of ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate (CID 118090471) is ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate.
What is the SMILES notation for ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate?
The canonical SMILES for ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate is CCOC(=O)c1cccc(-c2cncc3cc(C=O)oc23)c1.
What is the InChIKey of ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate?
The InChIKey is YGVLMAWAXVWREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-2-21-17(20)12-5-3-4-11(6-12)15-9-18-8-13-7-14(10-19)22-16(13)15/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate?
ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate has a molecular weight of 295.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-formylfuro[3,2-c]pyridin-7-yl)benzoate is sourced from PubChem (CID 118090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).