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CAS 1211532-85-2 5-chloro-3-Methyl-2-nitropyridine molecular structure lightbox
CAS RN: 1211532-85-2

5-chloro-3-Methyl-2-nitropyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022662
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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 1211532-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1211532-85-2 / 5-chloro-3-methyl-2-nitropyridine

5-Chloro-3-methyl-2-nitropyridine | MFCD18260751 | 5-chloro-3-methyl-2-nitro-pyridine

Standard CAS: 1211532-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211532-85-2
Multi CAS
No
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
SMILES
CC1=CC(=CN=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-5(7)3-8-6(4)9(10)11/h2-3H,1H3
InChIKey
JQKDQMHAQKONAB-UHFFFAOYSA-N
Synonyms
5-Chloro-3-methyl-2-nitropyridine MFCD18260751 5-chloro-3-methyl-2-nitro-pyridine SCHEMBL2448243 AKOS022188275

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.64
TPSA
56.03

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.39

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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