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CAS 1256811-48-9 2-chloro-3-methoxy-4-Pyridinecarbonitrile molecular structure lightbox
CAS RN: 1256811-48-9

2-chloro-3-methoxy-4-Pyridinecarbonitrile

  • Product code: SSC-030763
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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: 0.1g, 0.25g, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1256811-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

1256811-48-9 / 2-chloro-3-methoxypyridine-4-carbonitrile

Standard CAS: 1256811-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256811-48-9
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
COC1=C(C=CN=C1Cl)C#N
InChI
InChI=1S/C7H5ClN2O/c1-11-6-5(4-9)2-3-10-7(6)8/h2-3H,1H3
InChIKey
OZDJGMVPNGNEIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.51
TPSA
45.91

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.6

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

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