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CAS 103577-66-8 (3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol molecular structure lightbox
CAS RN: 103577-66-8

(3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol

  • Product code: SSC-005152
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103577-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 5 In Stock Shanghai Inquiry
100g ≥95% 4 In Stock Hong Kong Inquiry

103577-66-8 / [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

2-HYDROXYMETHYL-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE | 2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)- | AJR7D4YGL7

Standard CAS: 103577-66-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103577-66-8
Multi CAS
Yes
Molecular Formula
C9H10F3NO2
Molecular Weight
221.180000
Exact Mass
221.066363
SMILES
CC1=C(C=CN=C1CO)OCC(F)(F)F
InChI
InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
InChIKey
GNILTGRCVCMPFJ-UHFFFAOYSA-N
Synonyms
2-HYDROXYMETHYL-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE 2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)- AJR7D4YGL7 EC 428-200-7 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.45
TPSA
42.35

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501 P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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