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CAS 1206250-22-7 Methyl 2-broMo-6-chloroisonicotinate molecular structure lightbox
CAS RN: 1206250-22-7

Methyl 2-broMo-6-chloroisonicotinate

  • Product code: SSC-021676
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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 1206250-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1206250-22-7 / methyl 2-bromo-6-chloropyridine-4-carboxylate

methyl 2-bromo-6-chloroisonicotinate | methyl 2-bromo-6-chloropyridine-4-carboxylate | 2-Bromo-6-chloro-4-pyridinecarboxylic Acid Methyl Ester

Standard CAS: 1206250-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206250-22-7
Multi CAS
Yes
Molecular Formula
C7H5BrClNO2
Molecular Weight
250.480000
Exact Mass
248.919220
SMILES
COC(=O)C1=CC(=NC(=C1)Br)Cl
InChI
InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
InChIKey
CZRXZMDYMMNDTB-UHFFFAOYSA-N
Synonyms
methyl 2-bromo-6-chloroisonicotinate methyl 2-bromo-6-chloropyridine-4-carboxylate 2-Bromo-6-chloro-4-pyridinecarboxylic Acid Methyl Ester MFCD14582026 SY368994

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.29
TPSA
39.19

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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