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CAS 1196153-15-7 2-Chloro-6-chloromethyl-4-trifluoromethyl-pyridine molecular structure lightbox
CAS RN: 1196153-15-7

2-Chloro-6-chloromethyl-4-trifluoromethyl-pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: LINC888041
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1196153-15-7 / 2-chloro-6-(chloromethyl)-4-(trifluoromethyl)pyridine

2-CHLORO-6-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)PYRIDINE | starbld0031657 | 2-Chloro-6-chloromethyl-4-trifluoromethyl-pyridine

Standard CAS: 1196153-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196153-15-7
Multi CAS
No
Molecular Formula
C7H4Cl2F3N
Molecular Weight
230.010000
Exact Mass
228.967289
SMILES
C1=C(C=C(N=C1CCl)Cl)C(F)(F)F
InChI
InChI=1S/C7H4Cl2F3N/c8-3-5-1-4(7(10,11)12)2-6(9)13-5/h1-2H,3H2
InChIKey
UHRDONXHHAJWAZ-UHFFFAOYSA-N
Synonyms
2-CHLORO-6-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)PYRIDINE starbld0031657 2-Chloro-6-chloromethyl-4-trifluoromethyl-pyridine AB69567 F81841

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.81
TPSA
12.89

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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