ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C17H15FN2O2 — CID 59490932

IUPACethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)nc2c1-c1ccccc1F
InChIInChI=1S/C17H15FN2O2/c1-3-22-17(21)16-14(11-6-4-5-7-12(11)18)15-13(20-16)9-8-10(2)19-15/h4-9,20H,3H2,1-2H3
InChIKeyXQHXNDYAKFRHQS-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.85
Rot. Bonds3

About ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 59490932) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID59490932
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Nameethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)nc2c1-c1ccccc1F
InChIInChI=1S/C17H15FN2O2/c1-3-22-17(21)16-14(11-6-4-5-7-12(11)18)15-13(20-16)9-8-10(2)19-15/h4-9,20H,3H2,1-2H3
InChIKeyXQHXNDYAKFRHQS-UHFFFAOYSA-N
XLogP3.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate 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-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CID 59490932) is ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1[nH]c2ccc(C)nc2c1-c1ccccc1F.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is XQHXNDYAKFRHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-3-22-17(21)16-14(11-6-4-5-7-12(11)18)15-13(20-16)9-8-10(2)19-15/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 59490932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).