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CAS 1184172-10-8 2-chloro-3-fluoro-4-methoxypyridine molecular structure lightbox
CAS RN: 1184172-10-8

2-chloro-3-fluoro-4-methoxypyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 1g / 5g / 10g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1184172-10-8
  • Purity/Analytical Methods: >99.0%
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1184172-10-8 / 2-chloro-3-fluoro-4-methoxypyridine

2-chloro-3-fluoro-4-methoxypyridine | RefChem:468668 | 819-478-4

Standard CAS: 1184172-10-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1184172-10-8
Multi CAS
No
Molecular Formula
C6H5ClFNO
Molecular Weight
161.560000
Exact Mass
161.004370
SMILES
COC1=C(C(=NC=C1)Cl)F
InChI
InChI=1S/C6H5ClFNO/c1-10-4-2-3-9-6(7)5(4)8/h2-3H,1H3
InChIKey
XRZFYEWVWSZOON-UHFFFAOYSA-N
Synonyms
2-chloro-3-fluoro-4-methoxypyridine RefChem:468668 819-478-4 2-chloro-3-fluoro-4-methoxy-Pyridine MFCD16610368

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.76
TPSA
22.12

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.37

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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