![CAS 1015610-55-5 5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLICACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1015610-55-5.gif)
CAS RN: 1015610-55-5
5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLICACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1015610-55-5
- Purity/Analytical Methods: >99.0%
1015610-55-5 / 5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid | DTXSID90640171 | 5-Chloro-1H-pyrrolo(2,3-b)pyridine-4-carboxylic acid
Basic Information
CAS
1015610-55-5
Multi CAS
Yes
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CNC2=NC=C(C(=C21)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
MLXTUHYRDAIKGO-UHFFFAOYSA-N
Synonyms
5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
DTXSID90640171
5-Chloro-1H-pyrrolo(2,3-b)pyridine-4-carboxylic acid
RefChem:534336
DTXCID10590922
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.06
TPSA
65.98
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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