methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate

C10H7NO4 — CID 178038959

IUPACmethyl 2-formylfuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2cc(C=O)oc12
InChIInChI=1S/C10H7NO4/c1-14-10(13)7-2-3-11-8-4-6(5-12)15-9(7)8/h2-5H,1H3
InChIKeySGOJMWNETHASPQ-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate

methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate (PubChem CID 178038959) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-formylfuro[3,2-b]pyridine-7-carboxylate
PubChem CID178038959
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Namemethyl 2-formylfuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2cc(C=O)oc12
InChIInChI=1S/C10H7NO4/c1-14-10(13)7-2-3-11-8-4-6(5-12)15-9(7)8/h2-5H,1H3
InChIKeySGOJMWNETHASPQ-UHFFFAOYSA-N
XLogP1.43
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
CID 178038672
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
(E)-3-(7-methoxycarbonyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 84632664
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 6-oxo-5H-1,5-naphthyridine-4-carboxylate
CID 146599592
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 6-propylquinoline-4-carboxylate
CID 102941688

Frequently Asked Questions

What is the IUPAC name of methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate (CID 178038959) is methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate is COC(=O)c1ccnc2cc(C=O)oc12.
What is the InChIKey of methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate?
The InChIKey is SGOJMWNETHASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-14-10(13)7-2-3-11-8-4-6(5-12)15-9(7)8/h2-5H,1H3.
What are the key properties of methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate?
methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 178038959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).