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CAS 117934-34-6 3-(ChloroMethyl)-2-Methoxypyridine hydrochloride molecular structure lightbox
CAS RN: 117934-34-6

3-(ChloroMethyl)-2-Methoxypyridine hydrochloride

  • Product code: SSC-017764
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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: 5g
  • 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 117934-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

117934-34-6 / 3-(chloromethyl)-2-methoxypyridine;hydrochloride

3-(Chloromethyl)-2-methoxypyridine hydrochloride | 3-(CHLOROMETHYL)-2-METHOXYPYRIDINE HCL | MFCD23135658

Standard CAS: 117934-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117934-34-6
Multi CAS
No
Molecular Formula
C7H9Cl2NO
Molecular Weight
194.060000
Exact Mass
193.006119
SMILES
COC1=C(C=CC=N1)CCl.Cl
InChI
InChI=1S/C7H8ClNO.ClH/c1-10-7-6(5-8)3-2-4-9-7;/h2-4H,5H2,1H3;1H
InChIKey
PFQPCKUWKAWAMG-UHFFFAOYSA-N
Synonyms
3-(Chloromethyl)-2-methoxypyridine hydrochloride 3-(CHLOROMETHYL)-2-METHOXYPYRIDINE HCL MFCD23135658 3-(chloromethyl)-2-methoxypyridine;hydrochloride 3-(Chloromethyl)-2-methoxypyridinehydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.59
TPSA
22.12

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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