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CAS 1099597-74-6 2-Chloro-6-methyl-3-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1099597-74-6

2-Chloro-6-methyl-3-(trifluoromethyl)pyridine

  • Product code: SSC-011201
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1099597-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1099597-74-6 / 2-chloro-6-methyl-3-(trifluoromethyl)pyridine

2-Chloro-6-methyl-3-(trifluoromethyl)pyridine | RefChem:469683 | 995-884-6

Standard CAS: 1099597-74-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1099597-74-6
Multi CAS
No
Molecular Formula
C7H5ClF3N
Molecular Weight
195.570000
Exact Mass
195.006261
SMILES
CC1=NC(=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3N/c1-4-2-3-5(6(8)12-4)7(9,10)11/h2-3H,1H3
InChIKey
DIFCQOVMVHCCHY-UHFFFAOYSA-N
Synonyms
2-Chloro-6-methyl-3-(trifluoromethyl)pyridine RefChem:469683 995-884-6 MFCD11226678 2-chloro-3-(trifluoromethyl)-6-methylpyridine

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
3.1
Consensus LogP
2.95
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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