4-Pyridinecarboxaldehyde

Name: 4-Pyridinecarboxaldehyde
SKU: PI872855
Rating: 5 (1 reviews)

Cat. No.: PI872855

Product Details Other Identifiers Computed Properties

CAS	872-85-5
Purity	98%
Molecular Formula	C6H5NO
Molecular Weight	107.11
Molar Refractivity	29.62

Pubchem ID	13389
InChI Key	BGUWFUQJCDRPTL-UHFFFAOYSA-N
MDL Number	MFCD00006425

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.72
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.65 cm/s
Log Po/w (iLOGP)	0.95
Log Po/w (MLOGP)	-0.23
Log Po/w (SILICOS-IT)	1.55
Log Po/w (WLOGP)	0.89
Log Po/w (XLOGP3)	0.43
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.0
Topological Polar Surface Area	29.96 Å²
Veber	0.0

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