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CAS 220870-80-4 Pyridine, 4-chloro-5-methyl-2-(trifluoromethyl)- molecular structure lightbox
CAS RN: 220870-80-4

Pyridine, 4-chloro-5-methyl-2-(trifluoromethyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS220870-80-4
  • Purity/Analytical Methods: >99.0%
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220870-80-4 / 4-chloro-5-methyl-2-(trifluoromethyl)pyridine

Standard CAS: 220870-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220870-80-4
Multi CAS
No
Molecular Formula
C7H5ClF3N
Molecular Weight
195.570000
Exact Mass
195.006261
SMILES
CC1=CN=C(C=C1Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3N/c1-4-3-12-6(2-5(4)8)7(9,10)11/h2-3H,1H3
InChIKey
ZKJGBRDJDPVFEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
38.99
TPSA
12.89

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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