3,4-Dichloropyridine-2-carboxylic Acid

Cat. No.: PI959578031

Product Details Other Identifiers Computed Properties

CAS	959578-03-1
Purity	97%
Molecular Formula	C6H3Cl2NO2
Molecular Weight	192.00
Molar Refractivity	41.22

Pubchem ID	2736088
InChI Key	AFZMKBLOQNTBOT-UHFFFAOYSA-N
MDL Number	MFCD01861980

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	50.19 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.18
Log Po/w (XLOGP3)	1.97
Log Po/w (WLOGP)	2.09
Log Po/w (MLOGP)	0.09
Log Po/w (SILICOS-IT)	2.04
Consensus Log Po/w	1.47
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.07 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.49

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