3,4-Dichloropyridine

Name: 3,4-Dichloropyridine
SKU: PI55934004
Rating: 5 (1 reviews)

Catalog NumberPI55934004

CAS Number55934-00-4

CategoryAntineoplastics Intermediates

Product Details

Purity	97%
Molecular Formula	C5H3Cl2N
Molecular Weight	147.99
Molar Refractivity	34.26

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Other Identifiers

Pubchem ID	2736081
InChI Key	ZMPYQKNNUHPTLT-UHFFFAOYSA-N
MDL Number	MFCD01861989

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.11
CYP1A2Inhibitor	Yes
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	1.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.7 cm/s
Log Po/w (iLOGP)	1.66
Log Po/w (MLOGP)	1.68
Log Po/w (SILICOS-IT)	2.73
Log Po/w (WLOGP)	2.39
Log Po/w (XLOGP3)	2.11
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.2
Topological Polar Surface Area	12.89 Å²
Veber	0.0

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