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CAS 1060804-21-8 5-AMino-pyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 1060804-21-8

5-AMino-pyridine-2-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-007758
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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: ＞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 1060804-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1060804-21-8 / 5-aminopyridine-2-carbaldehyde

5-AMINOPICOLINALDEHYDE | 5-aminopyridine-2-carbaldehyde | 5-AMINO-PYRIDINE-2-CARBALDEHYDE

Standard CAS: 1060804-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060804-21-8
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
SMILES
C1=CC(=NC=C1N)C=O
InChI
InChI=1S/C6H6N2O/c7-5-1-2-6(4-9)8-3-5/h1-4H,7H2
InChIKey
BTFMHQIHSPAMMW-UHFFFAOYSA-N
Synonyms
5-AMINOPICOLINALDEHYDE 5-aminopyridine-2-carbaldehyde 5-AMINO-PYRIDINE-2-CARBALDEHYDE MFCD13189097 SCHEMBL5747700

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.04
TPSA
55.98

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
Consensus LogP
0.3
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.13

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

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