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CAS 1004294-64-7 6-AMino-2-chloro-3-pyridinecarboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1004294-64-7

6-AMino-2-chloro-3-pyridinecarboxylic acid Methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-000998
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1004294-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1004294-64-7 / methyl 6-amino-2-chloropyridine-3-carboxylate

Methyl 6-amino-2-chloronicotinate | METHYL 6-AMINO-2-CHLOROPYRIDINE-3-CARBOXYLATE | 6-AMINO-2-CHLORO-NICOTINIC ACID METHYL ESTER

Standard CAS: 1004294-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1004294-64-7
Multi CAS
No
Molecular Formula
C7H7ClN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
SMILES
COC(=O)C1=C(N=C(C=C1)N)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-5(9)10-6(4)8/h2-3H,1H3,(H2,9,10)
InChIKey
IOTUSFIIARZCII-UHFFFAOYSA-N
Synonyms
Methyl 6-amino-2-chloronicotinate METHYL 6-AMINO-2-CHLOROPYRIDINE-3-CARBOXYLATE 6-AMINO-2-CHLORO-NICOTINIC ACID METHYL ESTER MFCD14706237 3-Pyridinecarboxylic acid, 6-amino-2-chloro-, methyl ester

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
1.3
Consensus LogP
1.12
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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