Chemical Properties of 1H-Pyrrolo[2,3-b]pyridine (CAS 271-63-6)

InChI

InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)

InChI Key

MVXVYAKCVDQRLW-UHFFFAOYSA-N

Formula

C7H6N2

SMILES

c1cnc2[nH]ccc2c1

Molecular Weight¹

118.14

CAS

271-63-6

Other Names

• 1,7-Diazaindene
• 7-Aza-1-pyrindine
• 7-Azaindole
• 7H-Pyrrolo[2,3-b]pyridine
• Pyrrolo(2,3-b)pyridine
• 1,7-Dideazapurine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	940.20	kJ/mol	NIST
BasG	908.30	kJ/mol	NIST
IE	8.11 ± 0.00	eV	NIST
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	1.081		Crippen Calculated Property
McVol	90.530	ml/mol	McGowan Calculated Property
Inp	[220.25; 1292.00]
Inp	1292.00		NIST
Inp	1192.00		NIST
Inp	220.25		NIST
Inp	223.70		NIST
Inp	220.25		NIST

Similar Compounds

Find more compounds similar to 1H-Pyrrolo[2,3-b]pyridine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.