CAS RN: 1211536-84-3
3-chloro-5-hydroxypyridine-2-carboxylic acid
- Product code: SSC-022704
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1211536-84-3 / 3-chloro-5-hydroxypyridine-2-carboxylic acid
3-Chloro-5-hydroxypyridine-2-carboxylic acid | 3-Chloro-5-hydroxypicolinic acid | MFCD16610485
Basic Information
CAS
1211536-84-3
Multi CAS
No
Molecular Formula
C6H4ClNO3
Molecular Weight
173.550000
Exact Mass
172.987971
SMILES
C1=C(C=NC(=C1Cl)C(=O)O)O
InChI
InChI=1S/C6H4ClNO3/c7-4-1-3(9)2-8-5(4)6(10)11/h1-2,9H,(H,10,11)
InChIKey
RHONMTCMWZHUID-UHFFFAOYSA-N
Synonyms
3-Chloro-5-hydroxypyridine-2-carboxylic acid
3-Chloro-5-hydroxypicolinic acid
MFCD16610485
3-Chloro-5-hydroxypicolinicacid
SCHEMBL16428392
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.87
TPSA
70.42
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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