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CAS 1190320-20-7 6-Methoxy-3-nitro-5-azaindole molecular structure lightbox
CAS RN: 1190320-20-7

6-Methoxy-3-nitro-5-azaindole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1190320-20-7
  • Purity/Analytical Methods: >99.0%
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1190320-20-7 / 6-methoxy-3-nitro-1H-pyrrolo[3,2-c]pyridine

6-Methoxy-3-nitro-1H-pyrrolo[3,2-c]pyridine | 6-Methoxy-3-nitro-5-azaindole | 1H-Pyrrolo[3,2-c]pyridine, 6-methoxy-3-nitro-

Standard CAS: 1190320-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190320-20-7
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
COC1=NC=C2C(=C1)NC=C2[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O3/c1-14-8-2-6-5(3-10-8)7(4-9-6)11(12)13/h2-4,9H,1H3
InChIKey
RQXSZIQXHRIKBA-UHFFFAOYSA-N
Synonyms
6-Methoxy-3-nitro-1H-pyrrolo[3,2-c]pyridine 6-Methoxy-3-nitro-5-azaindole 1H-Pyrrolo[3,2-c]pyridine, 6-methoxy-3-nitro- MFCD12963245 DTXSID901262654

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.3
TPSA
81.05

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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

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