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CAS 1190320-95-6 3-BroMo-7-fluoro-6-azaindole molecular structure lightbox
CAS RN: 1190320-95-6

3-BroMo-7-fluoro-6-azaindole

  • Product code: SSC-019433
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190320-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry

1190320-95-6 / 3-bromo-7-fluoro-1H-pyrrolo[2,3-c]pyridine

3-bromo-7-fluoro-1H-pyrrolo[2,3-c]pyridine | 3-BROMO-7-FLUORO-6-AZAINDOLE | 1H-Pyrrolo[2,3-c]pyridine, 3-bromo-7-fluoro-

Standard CAS: 1190320-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190320-95-6
Multi CAS
No
Molecular Formula
C7H4BrFN2
Molecular Weight
215.020000
Exact Mass
213.954190
SMILES
C1=CN=C(C2=C1C(=CN2)Br)F
InChI
InChI=1S/C7H4BrFN2/c8-5-3-11-6-4(5)1-2-10-7(6)9/h1-3,11H
InChIKey
OXRAMKHOGBHRKO-UHFFFAOYSA-N
Synonyms
3-bromo-7-fluoro-1H-pyrrolo[2,3-c]pyridine 3-BROMO-7-FLUORO-6-AZAINDOLE 1H-Pyrrolo[2,3-c]pyridine, 3-bromo-7-fluoro- DTXSID40696603 MFCD12962639

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.75
TPSA
28.68

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.28

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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