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CAS 108989-52-2 6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride molecular structure lightbox
CAS RN: 108989-52-2

6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS108989-52-2
  • Purity/Analytical Methods: >99.0%
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108989-52-2 / 6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;dihydrochloride

6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride | SCHEMBL31348244 | 6-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE HCL

Standard CAS: 108989-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108989-52-2
Multi CAS
Yes
Molecular Formula
C8H12Cl2N2
Molecular Weight
207.100000
Exact Mass
206.037754
SMILES
CC1=CC2=C(CNC2)C=N1.Cl.Cl
InChI
InChI=1S/C8H10N2.2ClH/c1-6-2-7-3-9-4-8(7)5-10-6;;/h2,5,9H,3-4H2,1H3;2*1H
InChIKey
WSXWCDOMEOOGSO-UHFFFAOYSA-N
Synonyms
6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride SCHEMBL31348244 6-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE HCL F17653 6-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINEHCL

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.01
TPSA
24.92

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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