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CAS 1196-30-1 3-hydroxy-N-methylpyridine-2-carboxamide molecular structure lightbox
CAS RN: 1196-30-1

3-hydroxy-N-methylpyridine-2-carboxamide

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Batchno.20250404 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1196-30-1
  • Purity/Analytical Methods: >99.0%
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1196-30-1 / 3-hydroxy-N-methylpyridine-2-carboxamide

3-Hydroxy-N-methylpyridine-2-carboxamide | 2-Pyridinecarboxamide, 3-hydroxy-N-methyl- | EINECS 214-811-4

Standard CAS: 1196-30-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196-30-1
Multi CAS
Yes
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CNC(=O)C1=C(C=CC=N1)O
InChI
InChI=1S/C7H8N2O2/c1-8-7(11)6-5(10)3-2-4-9-6/h2-4,10H,1H3,(H,8,11)
InChIKey
FGZZGTRXSOYHIF-UHFFFAOYSA-N
Synonyms
3-Hydroxy-N-methylpyridine-2-carboxamide 2-Pyridinecarboxamide, 3-hydroxy-N-methyl- EINECS 214-811-4 6UT7TEB88Y 3-Hydroxy-N-methyl-2-pyridinecarboxamide

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.29
TPSA
62.22

LogP / Solubility

WLOGP
0.15
MLOGP
0.12
XLogP3
1.1
Consensus LogP
0.46
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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