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CAS 1205671-72-2 Methyl 6-chloro-5-(hydroxyMethyl)picolinate, 97%(HPLC) molecular structure lightbox
CAS RN: 1205671-72-2

Methyl 6-chloro-5-(hydroxyMethyl)picolinate, 97%(HPLC)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 100mg / 200mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021579
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1205671-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1205671-72-2 / methyl 6-chloro-5-(hydroxymethyl)pyridine-2-carboxylate

Methyl 6-chloro-5-(hydroxymethyl)picolinate | MFCD29035246 | methyl 6-chloro-5-(hydroxymethyl)pyridine-2-carboxylate

Standard CAS: 1205671-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1205671-72-2
Multi CAS
No
Molecular Formula
C8H8ClNO3
Molecular Weight
201.610000
Exact Mass
201.019271
SMILES
COC(=O)C1=NC(=C(C=C1)CO)Cl
InChI
InChI=1S/C8H8ClNO3/c1-13-8(12)6-3-2-5(4-11)7(9)10-6/h2-3,11H,4H2,1H3
InChIKey
PUKRIPXCTULABY-UHFFFAOYSA-N
Synonyms
Methyl 6-chloro-5-(hydroxymethyl)picolinate MFCD29035246 methyl 6-chloro-5-(hydroxymethyl)pyridine-2-carboxylate SCHEMBL21200744 SCHEMBL30598914

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.51
TPSA
59.42

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-3.23

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

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