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CAS 1260675-04-4 Methyl 4-aMinopicolinate hydrochloride molecular structure lightbox
CAS RN: 1260675-04-4

Methyl 4-aMinopicolinate hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260675-04-4
  • Purity/Analytical Methods: >99.0%
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1260675-04-4 / methyl 5-aminopyridine-2-carboxylate;hydrochloride

Standard CAS: 1260675-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260675-04-4
Multi CAS
No
Molecular Formula
C7H9ClN2O2
Molecular Weight
188.610000
Exact Mass
188.035255
SMILES
COC(=O)C1=NC=C(C=C1)N.Cl
InChI
InChI=1S/C7H8N2O2.ClH/c1-11-7(10)6-3-2-5(8)4-9-6;/h2-4H,8H2,1H3;1H
InChIKey
NZYIXVITXNNBQT-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
4
H-bond donors
1
Molar refractivity
47.24
TPSA
65.21

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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