2-Chloronicotinoyl chloride

Name: 2-Chloronicotinoyl chloride
SKU: PI49609849
Rating: 5 (1 reviews)

Catalog NumberPI49609849

CAS Number49609-84-9

CategoryAntineoplastics Intermediates

Product Details

Purity	95%
Molecular Formula	C6H3Cl2NO
Molecular Weight	176.00
Molar Refractivity	39.43

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Other Identifiers

Pubchem ID	2774541
InChI Key	RXTRRIFWCJEMEL-UHFFFAOYSA-N
MDL Number	MFCD00051677

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.9
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	10
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.73 cm/s
Log Po/w (iLOGP)	1.57
Log Po/w (MLOGP)	1.0
Log Po/w (SILICOS-IT)	2.51
Log Po/w (WLOGP)	2.11
Log Po/w (XLOGP3)	2.32
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.41
Topological Polar Surface Area	29.96 Å²
Veber	0.0

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