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CAS 1073182-59-8 Methyl 5-aMino-2-chloropyridine-4-carboxylate molecular structure lightbox
CAS RN: 1073182-59-8

Methyl 5-aMino-2-chloropyridine-4-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008861
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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: ＞97%
  • 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 1073182-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1073182-59-8 / methyl 5-amino-2-chloropyridine-4-carboxylate

methyl 5-amino-2-chloroisonicotinate | Methyl 5-amino-2-chloropyridine-4-carboxylate | MFCD11848213

Standard CAS: 1073182-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073182-59-8
Multi CAS
No
Molecular Formula
C7H7ClN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
SMILES
COC(=O)C1=CC(=NC=C1N)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,9H2,1H3
InChIKey
CERGHRQGKYIIED-UHFFFAOYSA-N
Synonyms
methyl 5-amino-2-chloroisonicotinate Methyl 5-amino-2-chloropyridine-4-carboxylate MFCD11848213 Methyl5-amino-2-chloroisonicotinate methyl 5-amino-2-chloro-pyridine-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45
TPSA
65.21

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.5
Consensus LogP
1.19
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.07

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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