2-(Pyridin-2-yl)acetic acid HCl

Name: 2-(Pyridin-2-yl)acetic acid HCl
SKU: PI16179978
Rating: 5 (1 reviews)

Catalog NumberPI16179978

CAS Number16179-97-8

CategoryAnticonvulsants Intermediates

Product Details

Synonyms	2-(Pyridin-2-yl)acetic acid hydrochloride
Purity	95%
Molecular Formula	C7H8ClNO2
Molecular Weight	173.60
Molar Refractivity	42.75

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Other Identifiers

Pubchem ID	85317
InChI Key	MQVISALTZUNQSK-UHFFFAOYSA-N
MDL Number	MFCD00012812

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	0.75
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.14
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.79 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	0.39
Log Po/w (SILICOS-IT)	1.04
Log Po/w (WLOGP)	1.51
Log Po/w (XLOGP3)	0.8
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.47
Topological Polar Surface Area	50.19 Å²
Veber	0.0

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