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CAS 1073182-87-2 3-AMino-4,6-dichloropicolinic acid molecular structure lightbox
CAS RN: 1073182-87-2

3-AMino-4,6-dichloropicolinic acid

  • Product code: SSC-008865
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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 1073182-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1073182-87-2 / 3-amino-4,6-dichloropyridine-2-carboxylic acid

3-Amino-4,6-dichloropicolinic acid | MFCD24499074 | 3-amino-4,6-dichloropyridine-2-carboxylic acid

Standard CAS: 1073182-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073182-87-2
Multi CAS
No
Molecular Formula
C6H4Cl2N2O2
Molecular Weight
207.010000
Exact Mass
205.964983
SMILES
C1=C(C(=C(N=C1Cl)C(=O)O)N)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c7-2-1-3(8)10-5(4(2)9)6(11)12/h1H,9H2,(H,11,12)
InChIKey
OVJPREKPWUUJQJ-UHFFFAOYSA-N
Synonyms
3-Amino-4,6-dichloropicolinic acid MFCD24499074 3-amino-4,6-dichloropyridine-2-carboxylic acid 3-amino-4,6-dichloro-pyridine-2-carboxylic acid SCHEMBL536122

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.63
TPSA
76.21

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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