5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine

C9H5FN2 — CID 74891552

IUPAC5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1cnc2[nH]ccc2c1F
InChIInChI=1S/C9H5FN2/c1-2-6-5-12-9-7(8(6)10)3-4-11-9/h1,3-5H,(H,11,12)
InChIKeyOQSZSSZQGXVLRA-UHFFFAOYSA-N
MW160.15 g/mol
LogP1.68
Rot. Bonds

About 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine

5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 74891552) has the molecular formula C9H5FN2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
PubChem CID74891552
Molecular FormulaC9H5FN2
Molecular Weight160.15 g/mol
Exact Mass160.04
IUPAC Name5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1cnc2[nH]ccc2c1F
InChIInChI=1S/C9H5FN2/c1-2-6-5-12-9-7(8(6)10)3-4-11-9/h1,3-5H,(H,11,12)
InChIKeyOQSZSSZQGXVLRA-UHFFFAOYSA-N
XLogP1.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 51.68
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

4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786366
4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786408
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
5-fluoro-4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67329570
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
CID 129093662
4-chloro-5-(2-pyrimidin-2-ylethynyl)-1H-pyrrolo[2,3-b]pyridine
CID 156786304
4-chloro-5-[2-(4-methoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786375
N-cyclohexyl-5-[2-(2-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156786306
4-chloro-5-[3-(4-methylphenoxy)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786360
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170200023
5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
CID 162748849
5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine (CID 74891552) is 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine is C#Cc1cnc2[nH]ccc2c1F.
What is the InChIKey of 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OQSZSSZQGXVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2/c1-2-6-5-12-9-7(8(6)10)3-4-11-9/h1,3-5H,(H,11,12).
What are the key properties of 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine?
5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 160.15 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 74891552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).