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CAS 1019021-71-6 6-cyanoimidazo[1,2-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1019021-71-6

6-cyanoimidazo[1,2-a]pyridine-3-carboxylic acid

  • Product code: SSC-002987
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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 1019021-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1019021-71-6 / 6-cyanoimidazo[1,2-a]pyridine-3-carboxylic acid

6-CYANOIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID | DTXSID00717207 | 6-Cyanoimidazo(1,2-a)pyridine-3-carboxylic acid

Standard CAS: 1019021-71-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1019021-71-6
Multi CAS
No
Molecular Formula
C9H5N3O2
Molecular Weight
187.150000
Exact Mass
187.038176
SMILES
C1=CC2=NC=C(N2C=C1C#N)C(=O)O
InChI
InChI=1S/C9H5N3O2/c10-3-6-1-2-8-11-4-7(9(13)14)12(8)5-6/h1-2,4-5H,(H,13,14)
InChIKey
KJJRPCOIOHRNOH-UHFFFAOYSA-N
Synonyms
6-CYANOIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID DTXSID00717207 6-Cyanoimidazo(1,2-a)pyridine-3-carboxylic acid RefChem:308162 DTXCID80667953

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.87
TPSA
78.39

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.3
Consensus LogP
1
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.22

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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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