2-Iodopyridine

Name: 2-Iodopyridine
SKU: PI5029674
Rating: 5 (1 reviews)

Cat. No.: PI5029674

Product Details Other Identifiers Computed Properties

CAS	5029-67-4
Purity	98% (stabilized with Copper chip)
Molecular Formula	C5H4IN
Molecular Weight	205.00
Molar Refractivity	36.95

Pubchem ID	221126
InChI Key	CCZWSTFVHJPCEM-UHFFFAOYSA-N
MDL Number	MFCD00464928

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	0
Topological Polar Surface Area	12.89 Å²
Heavy Atom Count	7
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.61
Log Po/w (XLOGP3)	1.4
Log Po/w (WLOGP)	1.69
Log Po/w (MLOGP)	1.41
Log Po/w (SILICOS-IT)	2.47
Consensus Log Po/w	1.72
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.56 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.24

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