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CAS 1211535-18-0 5-ChloroMethyl-3-fluoro-2-Methoxy-pyridine molecular structure lightbox
CAS RN: 1211535-18-0

5-ChloroMethyl-3-fluoro-2-Methoxy-pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1211535-18-0
  • Purity/Analytical Methods: >99.0%
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1211535-18-0 / 5-(chloromethyl)-3-fluoro-2-methoxypyridine

5-(CHLOROMETHYL)-3-FLUORO-2-METHOXYPYRIDINE | 5-ChloroMethyl-3-fluoro-2-Methoxy-pyridine | SCHEMBL24851926

Standard CAS: 1211535-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211535-18-0
Multi CAS
No
Molecular Formula
C7H7ClFNO
Molecular Weight
175.590000
Exact Mass
175.020020
SMILES
COC1=C(C=C(C=N1)CCl)F
InChI
InChI=1S/C7H7ClFNO/c1-11-7-6(9)2-5(3-8)4-10-7/h2,4H,3H2,1H3
InChIKey
VHCZTGVWZQSFMS-UHFFFAOYSA-N
Synonyms
5-(CHLOROMETHYL)-3-FLUORO-2-METHOXYPYRIDINE 5-ChloroMethyl-3-fluoro-2-Methoxy-pyridine SCHEMBL24851926 SCHEMBL29738545 MFCD16608231

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.3
TPSA
22.12

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.39

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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