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CAS 65169-63-3 2-Cyano-3-methyl-5-nitropyridine molecular structure lightbox
CAS RN: 65169-63-3

2-Cyano-3-methyl-5-nitropyridine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 10g In stock Shanghai Inquiry
Batchno.20250313 1g In stock Shanghai Inquiry
Batchno.20250203 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250625 25g In stock Shanghai Inquiry
Batchno.20250120 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS65169-63-3
  • Purity/Analytical Methods: >99.0%
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65169-63-3 / 3-methyl-5-nitropyridine-2-carbonitrile

Standard CAS: 65169-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65169-63-3
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
InChI
InChI=1S/C7H5N3O2/c1-5-2-6(10(11)12)4-9-7(5)3-8/h2,4H,1H3
InChIKey
KMSQJNWARXZFII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.34
TPSA
79.82

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

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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