Chemical Properties of 4-Nitropyridine (CAS 1122-61-8)

InChI

InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H

InChI Key

FEXIEMAAKBNTFK-UHFFFAOYSA-N

Formula

C5H4N2O2

SMILES

O=[N+]([O-])c1ccncc1

Molecular Weight¹

124.10

CAS

1122-61-8

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	874.30	kJ/mol	NIST
BasG	842.50	kJ/mol	NIST
IE	[10.20; 10.40]	eV
IE	10.40	eV	NIST
IE	10.20 ± 0.10	eV	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	0.990		Crippen Calculated Property
McVol	84.950	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 4-Nitropyridine.

Sources

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

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