[email protected]
CAS 1211577-99-9 6-(difluoroMethoxy)nicotinaldehyde molecular structure lightbox
CAS RN: 1211577-99-9

6-(difluoroMethoxy)nicotinaldehyde

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260311 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250329 10g In stock Shanghai Inquiry
Batchno.20250407 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250123 250mg In stock Shanghai Inquiry
Batchno.20250925 5g In stock Shanghai Inquiry
  • Product code: SSC-022758
GET A QUOTE
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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1211577-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1211577-99-9 / 6-(difluoromethoxy)pyridine-3-carbaldehyde

6-(difluoromethoxy)nicotinaldehyde | 6-(difluoromethoxy)pyridine-3-carbaldehyde | MFCD18261899

Standard CAS: 1211577-99-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211577-99-9
Multi CAS
No
Molecular Formula
C7H5F2NO2
Molecular Weight
173.120000
Exact Mass
173.028835
SMILES
C1=CC(=NC=C1C=O)OC(F)F
InChI
InChI=1S/C7H5F2NO2/c8-7(9)12-6-2-1-5(4-11)3-10-6/h1-4,7H
InChIKey
NRGBKYVUEUMGTE-UHFFFAOYSA-N
Synonyms
6-(difluoromethoxy)nicotinaldehyde 6-(difluoromethoxy)pyridine-3-carbaldehyde MFCD18261899 SCHEMBL7999562 SCHEMBL29416918

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
36.26
TPSA
39.19

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.71

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] 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
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us