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CAS 1211520-06-7 3-BroMo-5-Methylpyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 1211520-06-7

3-BroMo-5-Methylpyridine-2-carbaldehyde

  • Product code: SSC-022569
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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 1211520-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1211520-06-7 / 3-bromo-5-methylpyridine-2-carbaldehyde

3-Bromo-5-methylpyridine-2-carbaldehyde | 3-bromo-5-methylpicolinaldehyde | MFCD18254323

Standard CAS: 1211520-06-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211520-06-7
Multi CAS
No
Molecular Formula
C7H6BrNO
Molecular Weight
200.030000
Exact Mass
198.963280
SMILES
CC1=CC(=C(N=C1)C=O)Br
InChI
InChI=1S/C7H6BrNO/c1-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKey
HFHQHXBXKDACLN-UHFFFAOYSA-N
Synonyms
3-Bromo-5-methylpyridine-2-carbaldehyde 3-bromo-5-methylpicolinaldehyde MFCD18254323 SCHEMBL14484351 HFHQHXBXKDACLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.06
TPSA
29.96

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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