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CAS 102074-60-2 4-Pyridinemethanol,3-methoxy-(6CI,9CI) molecular structure lightbox
CAS RN: 102074-60-2

4-Pyridinemethanol,3-methoxy-(6CI,9CI)

  • Product code: SSC-003329
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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: ＞97%
  • 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 102074-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

102074-60-2 / (3-methoxy-4-pyridinyl)methanol

(3-Methoxypyridin-4-yl)methanol | 4-Pyridinemethanol, 3-methoxy- | MFCD16606979

Standard CAS: 102074-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102074-60-2
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
COC1=C(C=CN=C1)CO
InChI
InChI=1S/C7H9NO2/c1-10-7-4-8-3-2-6(7)5-9/h2-4,9H,5H2,1H3
InChIKey
BAHUOCIALOMKRJ-UHFFFAOYSA-N
Synonyms
(3-Methoxypyridin-4-yl)methanol 4-Pyridinemethanol, 3-methoxy- MFCD16606979 4-Pyridinemethanol,3-methoxy-(6CI,9CI) 4-pyridinemethanol,3-methoxy-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.71
TPSA
42.35

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
-0.1
Consensus LogP
0.33
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.16

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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