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CAS 1082040-89-8 1H-Pyrrolo[3,2-c]pyridine, 6-broMo-7-Methyl- molecular structure lightbox
CAS RN: 1082040-89-8

1H-Pyrrolo[3,2-c]pyridine, 6-broMo-7-Methyl-

  • Product code: SSC-009428
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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: 0.25g
  • 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 1082040-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1082040-89-8 / 6-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine

6-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine | 6-Bromo-7-methyl-5-azaindole | MFCD11845519

Standard CAS: 1082040-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082040-89-8
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=C2C(=CN=C1Br)C=CN2
InChI
InChI=1S/C8H7BrN2/c1-5-7-6(2-3-10-7)4-11-8(5)9/h2-4,10H,1H3
InChIKey
VVKYVWBJMHQHSR-UHFFFAOYSA-N
Synonyms
6-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine 6-Bromo-7-methyl-5-azaindole MFCD11845519 1H-Pyrrolo[3,2-c]pyridine, 6-broMo-7-Methyl- DTXSID001267419

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14

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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