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CAS 1260903-03-4 (4-chloro-3-fluoropyridin-2-yl)methanamine molecular structure lightbox
CAS RN: 1260903-03-4

(4-chloro-3-fluoropyridin-2-yl)methanamine

  • Product code: SSC-032356
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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, 1g, 5g, 10g
  • 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 1260903-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Beijing Inquiry
10g >95% 4 In Stock Shenzhen Inquiry

1260903-03-4 / (4-chloro-3-fluoro-2-pyridinyl)methanamine

Standard CAS: 1260903-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260903-03-4
Multi CAS
No
Molecular Formula
C6H6ClFN2
Molecular Weight
160.580000
Exact Mass
160.020354
SMILES
C1=CN=C(C(=C1Cl)F)CN
InChI
InChI=1S/C6H6ClFN2/c7-4-1-2-10-5(3-9)6(4)8/h1-2H,3,9H2
InChIKey
ZCSGHHVJWIODFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.1
TPSA
38.91

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.5
Consensus LogP
1
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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