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CAS 1194341-42-8 4-amino-2-chloronicotinonitrile molecular structure lightbox
CAS RN: 1194341-42-8

4-amino-2-chloronicotinonitrile

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-019966
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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: 1g
  • 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 1194341-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1194341-42-8 / 4-amino-2-chloropyridine-3-carbonitrile

4-Amino-2-chloronicotinonitrile | 4-amino-2-chloro-pyridine-3-carbonitrile | MFCD20492470

Standard CAS: 1194341-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1194341-42-8
Multi CAS
No
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=CN=C(C(=C1N)C#N)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-4(3-8)5(9)1-2-10-6/h1-2H,(H2,9,10)
InChIKey
MZJLCNQOZCCEDD-UHFFFAOYSA-N
Synonyms
4-Amino-2-chloronicotinonitrile 4-amino-2-chloro-pyridine-3-carbonitrile MFCD20492470 4-amino-2-chloropyridine-3-carbonitrile SCHEMBL17212756

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.37
TPSA
62.7

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.81

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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