2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C15H11FN2 — CID 134376283

IUPAC2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(C#Cc2cc3c([nH]2)=NCCC=3)c1
InChIInChI=1S/C15H11FN2/c16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h1,3-5,9-10H,2,8H2,(H,17,18)
InChIKeyAYPBBYIKSMMNDL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.36
Rot. Bonds

About 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134376283) has the molecular formula C15H11FN2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID134376283
Molecular FormulaC15H11FN2
Molecular Weight238.26 g/mol
Exact Mass238.09
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(C#Cc2cc3c([nH]2)=NCCC=3)c1
InChIInChI=1S/C15H11FN2/c16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h1,3-5,9-10H,2,8H2,(H,17,18)
InChIKeyAYPBBYIKSMMNDL-UHFFFAOYSA-N
XLogP1.36
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 134376283) is 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(C#Cc2cc3c([nH]2)=NCCC=3)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AYPBBYIKSMMNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h1,3-5,9-10H,2,8H2,(H,17,18).
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 238.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).