[email protected]
CAS 1190318-68-3 3-Iodo-4-Methyl-6-azaindole molecular structure lightbox
CAS RN: 1190318-68-3

3-Iodo-4-Methyl-6-azaindole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1190318-68-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1190318-68-3 / 3-iodo-4-methyl-1H-pyrrolo[2,3-c]pyridine

3-iodo-4-methyl-1H-pyrrolo[2,3-c]pyridine | 3-IODO-4-METHYL-6-AZAINDOLE | 1H-Pyrrolo[2,3-c]pyridine, 3-iodo-4-methyl-

Standard CAS: 1190318-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190318-68-3
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=CN=CC2=C1C(=CN2)I
InChI
InChI=1S/C8H7IN2/c1-5-2-10-4-7-8(5)6(9)3-11-7/h2-4,11H,1H3
InChIKey
HCOCUYLVISCOCV-UHFFFAOYSA-N
Synonyms
3-iodo-4-methyl-1H-pyrrolo[2,3-c]pyridine 3-IODO-4-METHYL-6-AZAINDOLE 1H-Pyrrolo[2,3-c]pyridine, 3-iodo-4-methyl- MFCD12963330 DB-228666

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.55
TPSA
28.68

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2
Consensus LogP
2.22
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us