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CAS 112163-03-8 2-METHOXY-3-NITRO-6-PICOLINE molecular structure lightbox
CAS RN: 112163-03-8

2-METHOXY-3-NITRO-6-PICOLINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS112163-03-8
  • Purity/Analytical Methods: >99.0%
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112163-03-8 / 2-methoxy-6-methyl-3-nitropyridine

2-Methoxy-6-methyl-3-nitropyridine | DTXSID60548690 | RefChem:262674

Standard CAS: 112163-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112163-03-8
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
CC1=NC(=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C7H8N2O3/c1-5-3-4-6(9(10)11)7(8-5)12-2/h3-4H,1-2H3
InChIKey
JDDZEAXDQIARMR-UHFFFAOYSA-N
Synonyms
2-Methoxy-6-methyl-3-nitropyridine DTXSID60548690 RefChem:262674 DTXCID40499474 2-Methoxy-3-nitro-6-picoline

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.18
TPSA
65.26

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.82

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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