CAS RN: 1373223-64-3

7-Chloro-5-fluoro-1H-indazole

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  • Product code: starshine_CAS1373223-64-3
  • Purity/Analytical Methods: >99.0%
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1373223-64-3 / 7-chloro-5-fluoro-1H-indazole

Standard CAS: 1373223-64-3 Multi CAS: No

Basic Information

CAS
1373223-64-3
Multi CAS
No
Molecular Formula
C7H4ClFN2
Molecular Weight
170.570000
Exact Mass
170.004704
SMILES
C1=C(C=C(C2=C1C=NN2)Cl)F
InChI
InChI=1S/C7H4ClFN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)
InChIKey
YNXAOQWUATYAAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.06
TPSA
28.68

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.09

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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