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CAS 1101120-11-9 3-ForMylpyrazolo[1,5-a]pyridine-5-carboxylic acid molecular structure lightbox
CAS RN: 1101120-11-9

3-ForMylpyrazolo[1,5-a]pyridine-5-carboxylic acid

  • Product code: SSC-011349
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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: ≥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 1101120-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1101120-11-9 / 3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid

3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid | 3-Formylpyrazolo(1,5-a)pyridine-5-carboxylic acid | RefChem:502087

Standard CAS: 1101120-11-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1101120-11-9
Multi CAS
No
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
SMILES
C1=CN2C(=C(C=N2)C=O)C=C1C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-5-7-4-10-11-2-1-6(9(13)14)3-8(7)11/h1-5H,(H,13,14)
InChIKey
HLAIFYPVBLQHGX-UHFFFAOYSA-N
Synonyms
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid 3-Formylpyrazolo(1,5-a)pyridine-5-carboxylic acid RefChem:502087 965-241-4 SCHEMBL3082758

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.54
TPSA
71.67

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.1
Consensus LogP
0.56
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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