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CAS 1142192-58-2 4,5-Dichloro-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1142192-58-2

4,5-Dichloro-1H-pyrrolo[2,3-b]pyridine

  • Product code: SSC-014084
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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 1142192-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1142192-58-2 / 4,5-dichloro-1H-pyrrolo[2,3-b]pyridine

2,5-DICHLORO-4-METHYLPYRIDINE-3-CARBONITRILE | 3-Cyano-2,5-dichloro-4-methylpyridine | MFCD07368156

Standard CAS: 1142192-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1142192-58-2
Multi CAS
Yes
Molecular Formula
C7H4Cl2N2
Molecular Weight
187.020000
Exact Mass
185.975154
SMILES
C1=CNC2=NC=C(C(=C21)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKey
JCLZDOZRYOFSNV-UHFFFAOYSA-N
Synonyms
2,5-DICHLORO-4-METHYLPYRIDINE-3-CARBONITRILE 3-Cyano-2,5-dichloro-4-methylpyridine MFCD07368156 SCHEMBL2912781 BEA32087

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.11
TPSA
28.68

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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