2-Pyridinemethanol

Name: 2-Pyridinemethanol
SKU: PI586981
Rating: 5 (1 reviews)

Cat. No.: PI586981

Product Details Other Identifiers Computed Properties

CAS	586-98-1
Synonyms	Pyridin-2-ylmethanol
Purity	97%
Molecular Formula	C6H7NO
Linear Formula	(CH2OH)C5H4N
Molecular Weight	109.13
Molar Refractivity	30.36

Pubchem ID	11474
InChI Key	SHNUBALDGXWUJI-UHFFFAOYSA-N
MDL Number	MFCD00006348

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	33.12 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.17
Log Po/w (iLOGP)	1.15
Log Po/w (XLOGP3)	0.06
Log Po/w (WLOGP)	0.42
Log Po/w (MLOGP)	-0.14
Log Po/w (SILICOS-IT)	1.25
Consensus Log Po/w	0.55
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.92 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.05

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