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CAS 1150164-92-3 5-Bromo-2-(3,5-dimethylpyrazol-1-yl)pyridine molecular structure lightbox
CAS RN: 1150164-92-3

5-Bromo-2-(3,5-dimethylpyrazol-1-yl)pyridine

  • Product code: SSC-014730
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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: ＞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 1150164-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1150164-92-3 / 5-bromo-2-(3,5-dimethylpyrazol-1-yl)pyridine

Pyridine, 5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)- | RefChem:1097306 | 5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

Standard CAS: 1150164-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150164-92-3
Multi CAS
No
Molecular Formula
C10H10BrN3
Molecular Weight
252.110000
Exact Mass
251.005810
SMILES
CC1=CC(=NN1C2=NC=C(C=C2)Br)C
InChI
InChI=1S/C10H10BrN3/c1-7-5-8(2)14(13-7)10-4-3-9(11)6-12-10/h3-6H,1-2H3
InChIKey
KQPQXODEGMMZQU-UHFFFAOYSA-N
Synonyms
Pyridine, 5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)- RefChem:1097306 5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine 5-BROMO-2-(3,5-DIMETHYLPYRAZOL-1-YL)PYRIDINE MFCD12026034

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.53
TPSA
30.71

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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