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CAS 1021339-19-4 6-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE molecular structure lightbox
CAS RN: 1021339-19-4

6-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE

  • Product code: SSC-003403
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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: 5g
  • 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 1021339-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1021339-19-4 / 6-chloro-1H-pyrrolo[3,2-b]pyridine

6-Chloro-1H-pyrrolo[3,2-b]pyridine | DTXSID10649803 | 6-Chloro-1H-pyrrolo(3,2-b)pyridine

Standard CAS: 1021339-19-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1021339-19-4
Multi CAS
Yes
Molecular Formula
C7H5ClN2
Molecular Weight
152.580000
Exact Mass
152.014126
SMILES
C1=CNC2=C1N=CC(=C2)Cl
InChI
InChI=1S/C7H5ClN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
InChIKey
UWROBKHIEKWFAJ-UHFFFAOYSA-N
Synonyms
6-Chloro-1H-pyrrolo[3,2-b]pyridine DTXSID10649803 6-Chloro-1H-pyrrolo(3,2-b)pyridine RefChem:307752 DTXCID90600553

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.1
TPSA
28.68

LogP / Solubility

WLOGP
2.22
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-2.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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