pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C13H10N2O3 — CID 70795923

IUPACpyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCc1cccnc1)c1cc2occc2[nH]1
InChIInChI=1S/C13H10N2O3/c16-13(18-8-9-2-1-4-14-7-9)11-6-12-10(15-11)3-5-17-12/h1-7,15H,8H2
InChIKeyVAWDMTBZOCMPPA-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.51
Rot. Bonds3

About pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 70795923) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID70795923
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Namepyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCc1cccnc1)c1cc2occc2[nH]1
InChIInChI=1S/C13H10N2O3/c16-13(18-8-9-2-1-4-14-7-9)11-6-12-10(15-11)3-5-17-12/h1-7,15H,8H2
InChIKeyVAWDMTBZOCMPPA-UHFFFAOYSA-N
XLogP2.51
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-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

ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133877
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
pyridin-3-ylmethyl 5-bromo-2-fluorobenzoate
CID 78781804
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75482196
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
pyridin-3-ylmethyl 4-bromo-2-nitrobenzoate
CID 71976383
2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961363
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 70795923) is pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(OCc1cccnc1)c1cc2occc2[nH]1.
What is the InChIKey of pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is VAWDMTBZOCMPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(18-8-9-2-1-4-14-7-9)11-6-12-10(15-11)3-5-17-12/h1-7,15H,8H2.
What are the key properties of pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 70795923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).