4-Formyl-1-methylpyridin-1-ium iodide

Name: 4-Formyl-1-methylpyridin-1-ium iodide
SKU: PI13441537
Rating: 5 (1 reviews)

Catalog NumberPI13441537

CAS Number13441-53-7

CategoryAntineoplastics Intermediates

Product Details

Purity	95%
Molecular Formula	C7H8INO
Molecular Weight	249.05
Molar Refractivity	49.44

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Other Identifiers

Pubchem ID	11118439
InChI Key	ZXBSOTYVIHPBDT-UHFFFAOYSA-M
MDL Number	MFCD00955994

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	3.0 alert
Consensus Log Po/w	-0.4
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.14
Ghose	None
GI Absorption	Low
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.89 cm/s
Log Po/w (iLOGP)	-2.56
Log Po/w (MLOGP)	0.78
Log Po/w (SILICOS-IT)	1.14
Log Po/w (WLOGP)	-2.67
Log Po/w (XLOGP3)	1.31
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.0
Topological Polar Surface Area	20.95 Å²
Veber	0.0

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