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CAS 120613-46-9 tetrazolo[1,5-a]pyridine-7-carboxylic acid molecular structure lightbox
CAS RN: 120613-46-9

tetrazolo[1,5-a]pyridine-7-carboxylic acid

  • Product code: SSC-021631
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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 120613-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

120613-46-9 / tetrazolo[1,5-a]pyridine-7-carboxylic acid

[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxylic acid | (1,2,3,4)tetrazolo(1,5-a)pyridine-7-carboxylic acid | RefChem:391202

Standard CAS: 120613-46-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120613-46-9
Multi CAS
No
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
SMILES
C1=CN2C(=NN=N2)C=C1C(=O)O
InChI
InChI=1S/C6H4N4O2/c11-6(12)4-1-2-10-5(3-4)7-8-9-10/h1-3H,(H,11,12)
InChIKey
AMGKNMPSLZJKLZ-UHFFFAOYSA-N
Synonyms
[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxylic acid (1,2,3,4)tetrazolo(1,5-a)pyridine-7-carboxylic acid RefChem:391202 862-551-0 tetrazolo[1,5-a]pyridine-7-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
37.74
TPSA
80.38

LogP / Solubility

WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.6
Consensus LogP
-0.31
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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