Chemical Properties of Metyrapone (CAS 54-36-4)

InChI

InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3

InChI Key

FJLBFSROUSIWMA-UHFFFAOYSA-N

Formula

C14H14N2O

SMILES

CC(C)(C(=O)c1cccnc1)c1cccnc1

Molecular Weight¹

226.27

CAS

54-36-4

Other Names

• 1-Propanone, 2-methyl-1,2-di-3-pyridinyl-
• Mepyrapone
• Methapyrapone
• Methopirapone
• Methopyrapone
• Methopyrinine
• Methopyrone
• Metopiron
• Metopirone
• Metopyrone
• Metyrapon
• 1-Propanone, 2-methyl-1,2-di-3-pyridyl-
• Su 4885
• 2-Methyl-1,2-di-3-pyridyl-1-propanone
• Metapirone
• Metapyron
• Metapyrone
• Methbipyranone
• Metroprione
• 2-Methyl-1,2-bis(3-pyridyl)-1-propanone
• NSC 25265

• 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
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	2.637		Crippen Calculated Property
McVol	182.130	ml/mol	McGowan Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Inp	1860.00		NIST

Similar Compounds

Find more compounds similar to Metyrapone.

Sources

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

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