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CAS 1000565-45-6 2-(2-CHLOROPYRIDIN-4-YL)ACETONITRILE molecular structure lightbox
CAS RN: 1000565-45-6

2-(2-CHLOROPYRIDIN-4-YL)ACETONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000255
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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: 5g
  • 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 1000565-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1000565-45-6 / 2-(2-chloro-4-pyridinyl)acetonitrile

2-(2-CHLOROPYRIDIN-4-YL)ACETONITRILE | 1000565-45-6 | 4-Pyridineacetonitrile, 2-chloro-

Standard CAS: 1000565-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000565-45-6
Multi CAS
No
Molecular Formula
C7H5ClN2
Molecular Weight
152.580000
Exact Mass
152.014126
SMILES
C1=CN=C(C=C1CC#N)Cl
InChI
InChI=1S/C7H5ClN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1H2
InChIKey
JJUUSSZGXKUHJW-UHFFFAOYSA-N
Synonyms
2-(2-CHLOROPYRIDIN-4-YL)ACETONITRILE 1000565-45-6 4-Pyridineacetonitrile, 2-chloro- MFCD09923811 2-(2-Chloro-4-pyridyl)acetonitrile

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.56
TPSA
36.68

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.37

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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