5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C19H14FN3O — CID 59699789

IUPAC5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C19H14FN3O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H,22,23)
InChIKeyZKHACEAPUUZIML-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.44
Rot. Bonds3

About 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699789) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699789
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C19H14FN3O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H,22,23)
InChIKeyZKHACEAPUUZIML-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine 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 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59699789) is 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(F)c3)cc12.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZKHACEAPUUZIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H,22,23).
What are the key properties of 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 319.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).