[email protected]
CAS 1060802-36-9 4-ChloroMethyl-3-fluoro-pyridine molecular structure lightbox
CAS RN: 1060802-36-9

4-ChloroMethyl-3-fluoro-pyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1060802-36-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1060802-36-9 / 4-(chloromethyl)-3-fluoropyridine

4-(CHLOROMETHYL)-3-FLUOROPYRIDINE | 4-Chloromethyl-3-fluoro-pyridine | MFCD13189062

Standard CAS: 1060802-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060802-36-9
Multi CAS
No
Molecular Formula
C6H5ClFN
Molecular Weight
145.560000
Exact Mass
145.009455
SMILES
C1=CN=CC(=C1CCl)F
InChI
InChI=1S/C6H5ClFN/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2
InChIKey
RMVYIGBZCTUZNB-UHFFFAOYSA-N
Synonyms
4-(CHLOROMETHYL)-3-FLUOROPYRIDINE 4-Chloromethyl-3-fluoro-pyridine MFCD13189062 4-(chloromethyl)-3-fluoro-pyridine 4-chloromethyl-3-fluoropyridine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.75
TPSA
12.89

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.3
Consensus LogP
1.66
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.22

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

Customers Also Viewed

Get In Touch

Contact Us