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CAS 1379324-09-0 4,6-Dichloro-N-methyl-2-pyridinecarboxamide molecular structure lightbox
CAS RN: 1379324-09-0

4,6-Dichloro-N-methyl-2-pyridinecarboxamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LIND905389
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1379324-09-0 / 4,6-dichloro-N-methylpyridine-2-carboxamide

Standard CAS: 1379324-09-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1379324-09-0
Multi CAS
No
Molecular Formula
C7H6Cl2N2O
Molecular Weight
205.040000
Exact Mass
203.985718
SMILES
CNC(=O)C1=NC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O/c1-10-7(12)5-2-4(8)3-6(9)11-5/h2-3H,1H3,(H,10,12)
InChIKey
IJWIURVNWMGRII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.65
TPSA
41.99

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.73

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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