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CAS 1187190-69-7 6-Chloro-4-methoxypyridine-3-carbonitrile molecular structure lightbox
CAS RN: 1187190-69-7

6-Chloro-4-methoxypyridine-3-carbonitrile

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 100mg In stock Inquiry
Batchno.20250208 1g In stock Inquiry
Batchno.20250129 250mg In stock Inquiry
Batchno.20260323 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 1g In stock Shanghai Inquiry
  • Product code: SSC-018647
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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 1187190-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1187190-69-7 / 6-chloro-4-methoxypyridine-3-carbonitrile

6-chloro-4-methoxypyridine-3-carbonitrile | DTXSID50716568 | RefChem:307977

Standard CAS: 1187190-69-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187190-69-7
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
COC1=CC(=NC=C1C#N)Cl
InChI
InChI=1S/C7H5ClN2O/c1-11-6-2-7(8)10-4-5(6)3-9/h2,4H,1H3
InChIKey
QGEATODEGYRNCA-UHFFFAOYSA-N
Synonyms
6-chloro-4-methoxypyridine-3-carbonitrile DTXSID50716568 RefChem:307977 DTXCID00667314 690-941-9

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.51
TPSA
45.91

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.6

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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