5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine

C17H10ClFN2O — CID 10086910

IUPAC5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1Cl
InChIInChI=1S/C17H10ClFN2O/c18-15-6-10(1-2-16(15)19)12-5-13-14(11-3-4-22-9-11)8-21-17(13)20-7-12/h1-9H,(H,20,21)
InChIKeyAGBFRQGBHITDOZ-UHFFFAOYSA-N
MW312.73 g/mol
LogP5.28
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10086910) has the molecular formula C17H10ClFN2O and a molecular weight of 312.73 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10086910
Molecular FormulaC17H10ClFN2O
Molecular Weight312.73 g/mol
Exact Mass312.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1Cl
InChIInChI=1S/C17H10ClFN2O/c18-15-6-10(1-2-16(15)19)12-5-13-14(11-3-4-22-9-11)8-21-17(13)20-7-12/h1-9H,(H,20,21)
InChIKeyAGBFRQGBHITDOZ-UHFFFAOYSA-N
XLogP5.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.73
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 10086910) is 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AGBFRQGBHITDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O/c18-15-6-10(1-2-16(15)19)12-5-13-14(11-3-4-22-9-11)8-21-17(13)20-7-12/h1-9H,(H,20,21).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 312.73 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).