CAS RN: 1003711-51-0
2-CHLORO-5-FLUORO-3-NITRO-4-PICOLINE
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.20251115 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1003711-51-0
- Purity/Analytical Methods: >99.0%
1003711-51-0 / 2-chloro-5-fluoro-4-methyl-3-nitropyridine
2-chloro-5-fluoro-4-methyl-3-nitropyridine | 2-Chloro-5-fluoro-3-nitro-4-picoline | PYRIDINE, 2-CHLORO-5-FLUORO-4-METHYL-3-NITRO-
Basic Information
CAS
1003711-51-0
Multi CAS
Yes
Molecular Formula
C6H4ClFN2O2
Molecular Weight
190.560000
Exact Mass
189.994533
SMILES
CC1=C(C(=NC=C1F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClFN2O2/c1-3-4(8)2-9-6(7)5(3)10(11)12/h2H,1H3
InChIKey
IIAURUOPOPAEEI-UHFFFAOYSA-N
Synonyms
2-chloro-5-fluoro-4-methyl-3-nitropyridine
2-Chloro-5-fluoro-3-nitro-4-picoline
PYRIDINE, 2-CHLORO-5-FLUORO-4-METHYL-3-NITRO-
MFCD09839275
2-chloro-5-fluoro-4-methyl-3-nitro-pyridine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.6
TPSA
56.03
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.4
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
