6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid

C16H17FN2O4 — CID 171321976

IUPAC6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid
SMILESCOc1cc(F)ccc1OCc1ccc2c(n1)NCC2.O=CO
InChIInChI=1S/C15H15FN2O2.CH2O2/c1-19-14-8-11(16)3-5-13(14)20-9-12-4-2-10-6-7-17-15(10)18-12;2-1-3/h2-5,8H,6-7,9H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyBKAWPPIWISCUAJ-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.48
Rot. Bonds4

About 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid

6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid (PubChem CID 171321976) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid.

Molecular Properties

Compound Name6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid
PubChem CID171321976
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid
SMILESCOc1cc(F)ccc1OCc1ccc2c(n1)NCC2.O=CO
InChIInChI=1S/C15H15FN2O2.CH2O2/c1-19-14-8-11(16)3-5-13(14)20-9-12-4-2-10-6-7-17-15(10)18-12;2-1-3/h2-5,8H,6-7,9H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyBKAWPPIWISCUAJ-UHFFFAOYSA-N
XLogP2.48
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid 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 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid?
The IUPAC name of 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid (CID 171321976) is 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid.
What is the SMILES notation for 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid?
The canonical SMILES for 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid is COc1cc(F)ccc1OCc1ccc2c(n1)NCC2.O=CO.
What is the InChIKey of 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid?
The InChIKey is BKAWPPIWISCUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2.CH2O2/c1-19-14-8-11(16)3-5-13(14)20-9-12-4-2-10-6-7-17-15(10)18-12;2-1-3/h2-5,8H,6-7,9H2,1H3,(H,17,18);1H,(H,2,3).
What are the key properties of 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid?
6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid has a molecular weight of 320.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methoxyphenoxy)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;formic acid is sourced from PubChem (CID 171321976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).