[email protected]
CAS 1261365-68-7 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde molecular structure lightbox
CAS RN: 1261365-68-7

5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1261365-68-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1261365-68-7 / 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde

Standard CAS: 1261365-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261365-68-7
Multi CAS
No
Molecular Formula
C9H5F3N2O
Molecular Weight
214.140000
Exact Mass
214.035397
SMILES
C1=CNC2=NC=C(C(=C21)C=O)C(F)(F)F
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-14-8-5(1-2-13-8)6(7)4-15/h1-4H,(H,13,14)
InChIKey
NZIOEGPYGBYZAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.48
TPSA
45.75

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
1.7
Consensus LogP
2.07
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us