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

C15H9FN2 — CID 88956542

IUPAC3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1c[nH]c2ncc(-c3ccccc3F)cc12
InChIInChI=1S/C15H9FN2/c1-2-10-8-17-15-13(10)7-11(9-18-15)12-5-3-4-6-14(12)16/h1,3-9H,(H,17,18)
InChIKeyQYZOHQBUOAEMAH-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.35
Rot. Bonds1

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

3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 88956542) has the molecular formula C15H9FN2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID88956542
Molecular FormulaC15H9FN2
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Name3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1c[nH]c2ncc(-c3ccccc3F)cc12
InChIInChI=1S/C15H9FN2/c1-2-10-8-17-15-13(10)7-11(9-18-15)12-5-3-4-6-14(12)16/h1,3-9H,(H,17,18)
InChIKeyQYZOHQBUOAEMAH-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161416992
[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol
CID 145491751
(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163364698
5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 25012303
3-ethynyl-5-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 160710902
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705
6-(2-fluorophenyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 162768577
3-ethynyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168973198
4-(2-fluorophenyl)-1H-pyrazole;hydrochloride
CID 66953451
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 74891552
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine (CID 88956542) is 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine is C#Cc1c[nH]c2ncc(-c3ccccc3F)cc12.
What is the InChIKey of 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QYZOHQBUOAEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2/c1-2-10-8-17-15-13(10)7-11(9-18-15)12-5-3-4-6-14(12)16/h1,3-9H,(H,17,18).
What are the key properties of 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine?
3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 236.25 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 88956542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).