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CAS 1193334-87-0 4-BroMo-5-fluoro-1-Methylpyridin-2(1H)-one molecular structure lightbox
CAS RN: 1193334-87-0

4-BroMo-5-fluoro-1-Methylpyridin-2(1H)-one

  • Product code: SSC-019879
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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: 1g
  • 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 1193334-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1193334-87-0 / 4-bromo-5-fluoro-1-methylpyridin-2-one

4-Bromo-5-fluoro-1-methylpyridin-2(1H)-one | 4-bromo-5-fluoro-1-methyl-pyridin-2-one | 4-bromo-5-fluoro-1-methylpyridin-2-one

Standard CAS: 1193334-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1193334-87-0
Multi CAS
No
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
CN1C=C(C(=CC1=O)Br)F
InChI
InChI=1S/C6H5BrFNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKey
FRLYEFGFRWMIMI-UHFFFAOYSA-N
Synonyms
4-Bromo-5-fluoro-1-methylpyridin-2(1H)-one 4-bromo-5-fluoro-1-methyl-pyridin-2-one 4-bromo-5-fluoro-1-methylpyridin-2-one 2(1H)-Pyridinone, 4-bromo-5-fluoro-1-methyl- MFCD16250428

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
Molar refractivity
39.34
TPSA
22

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
0.6
Consensus LogP
1.01
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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