3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C25H17FN2O — CID 59811941

IUPAC3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
InChIInChI=1S/C25H17FN2O/c26-19-8-6-7-17(13-19)23-16-28-25-22(23)14-18(15-27-25)21-11-4-5-12-24(21)29-20-9-2-1-3-10-20/h1-16H,(H,27,28)
InChIKeyZXMLYXVWASIGQG-UHFFFAOYSA-N
MW380.42 g/mol
LogP6.83
Rot. Bonds4

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

3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59811941) has the molecular formula C25H17FN2O and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59811941
Molecular FormulaC25H17FN2O
Molecular Weight380.42 g/mol
Exact Mass380.13
IUPAC Name3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
InChIInChI=1S/C25H17FN2O/c26-19-8-6-7-17(13-19)23-16-28-25-22(23)14-18(15-27-25)21-11-4-5-12-24(21)29-20-9-2-1-3-10-20/h1-16H,(H,27,28)
InChIKeyZXMLYXVWASIGQG-UHFFFAOYSA-N
XLogP6.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59811941) is 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZXMLYXVWASIGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O/c26-19-8-6-7-17(13-19)23-16-28-25-22(23)14-18(15-27-25)21-11-4-5-12-24(21)29-20-9-2-1-3-10-20/h1-16H,(H,27,28).
What are the key properties of 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 380.42 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59811941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).