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CAS 1198475-35-2 2-Chloro-6-cyclopropylnicotinonitrile molecular structure lightbox
CAS RN: 1198475-35-2

2-Chloro-6-cyclopropylnicotinonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020644
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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 1198475-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1198475-35-2 / 2-chloro-6-cyclopropylpyridine-3-carbonitrile

2-chloro-6-cyclopropylnicotinonitrile | 2-chloro-6-cyclopropylpyridine-3-carbonitrile | MFCD13193091

Standard CAS: 1198475-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198475-35-2
Multi CAS
No
Molecular Formula
C9H7ClN2
Molecular Weight
178.620000
Exact Mass
178.029776
SMILES
C1CC1C2=NC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C9H7ClN2/c10-9-7(5-11)3-4-8(12-9)6-1-2-6/h3-4,6H,1-2H2
InChIKey
POXUDNZBBBNHSY-UHFFFAOYSA-N
Synonyms
2-chloro-6-cyclopropylnicotinonitrile 2-chloro-6-cyclopropylpyridine-3-carbonitrile MFCD13193091 2-Chloro-6-cyclopropyl-3-pyridinecarbonitrile SCHEMBL16794988

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.94
TPSA
36.68

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.05

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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