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CAS 1376367-30-4 4-methoxy-5-methylpyridine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1376367-30-4

4-methoxy-5-methylpyridine-2-carboxylic acid hydrochloride

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Batchno.20260406 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1376367-30-4
  • Purity/Analytical Methods: >99.0%
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1376367-30-4 / 4-methoxy-5-methylpyridine-2-carboxylic acid;hydrochloride

Standard CAS: 1376367-30-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1376367-30-4
Multi CAS
No
Molecular Formula
C8H10ClNO3
Molecular Weight
203.620000
Exact Mass
203.034921
SMILES
CC1=CN=C(C=C1OC)C(=O)O.Cl
InChI
InChI=1S/C8H9NO3.ClH/c1-5-4-9-6(8(10)11)3-7(5)12-2;/h3-4H,1-2H3,(H,10,11);1H
InChIKey
QTHTYZBKSADJKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.73
TPSA
59.42

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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