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CAS 312321-71-4 2-CHLOROMETHYL-4-NITRO-PYRIDINE molecular structure lightbox
CAS RN: 312321-71-4

2-CHLOROMETHYL-4-NITRO-PYRIDINE

  • Product code: SSC-136512
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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: 0.25g
  • 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 312321-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

312321-71-4 / 2-(chloromethyl)-4-nitropyridine

Standard CAS: 312321-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312321-71-4
Multi CAS
Yes
Molecular Formula
C6H5CLN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
InChI
InChI=1S/C6H5ClN2O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H,4H2
InChIKey
CSHNLCUQDKMNFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.45
TPSA
56.03

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.55

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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