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CAS 1190322-52-1 3-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-5-OL molecular structure lightbox
CAS RN: 1190322-52-1

3-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-5-OL

  • Product code: SSC-019459
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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 1190322-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1190322-52-1 / 3-bromo-1H-pyrrolo[2,3-b]pyridin-5-ol

3-bromo-1H-pyrrolo[2,3-b]pyridin-5-ol | 1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-bromo- | 3-BROMO-5-HYDROXY-7-AZAINDOLE

Standard CAS: 1190322-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190322-52-1
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
C1=C(C=NC2=C1C(=CN2)Br)O
InChI
InChI=1S/C7H5BrN2O/c8-6-3-10-7-5(6)1-4(11)2-9-7/h1-3,11H,(H,9,10)
InChIKey
RXZBSFDUWWUMOP-UHFFFAOYSA-N
Synonyms
3-bromo-1H-pyrrolo[2,3-b]pyridin-5-ol 1H-Pyrrolo[2,3-b]pyridin-5-ol, 3-bromo- 3-BROMO-5-HYDROXY-7-AZAINDOLE 3-Bromo-7-azaindole-5-ol MFCD12962888

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.46
TPSA
48.91

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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