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CAS 1203499-12-0 1-(2-Chloro-5-fluoropyridin-3-yl)ethanone molecular structure lightbox
CAS RN: 1203499-12-0

1-(2-Chloro-5-fluoropyridin-3-yl)ethanone

  • Product code: SSC-021197
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1203499-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1203499-12-0 / 1-(2-chloro-5-fluoro-3-pyridinyl)ethanone

1-(2-Chloro-5-fluoropyridin-3-yl)ethanone | 1-(2-CHLORO-5-FLUORO-3-PYRIDINYL)ETHANONE | RefChem:421751

Standard CAS: 1203499-12-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203499-12-0
Multi CAS
No
Molecular Formula
C7H5ClFNO
Molecular Weight
173.570000
Exact Mass
173.004370
SMILES
CC(=O)C1=C(N=CC(=C1)F)Cl
InChI
InChI=1S/C7H5ClFNO/c1-4(11)6-2-5(9)3-10-7(6)8/h2-3H,1H3
InChIKey
AQQNBZAKKNJYLI-UHFFFAOYSA-N
Synonyms
1-(2-Chloro-5-fluoropyridin-3-yl)ethanone 1-(2-CHLORO-5-FLUORO-3-PYRIDINYL)ETHANONE RefChem:421751 106-967-6 1-(2-chloro-5-fluoro-3-pyridyl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.21
TPSA
29.96

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.3

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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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