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CAS 1189458-67-0 4,4’-Difluoro-2,2’-bipyridine molecular structure lightbox
CAS RN: 1189458-67-0

4,4’-Difluoro-2,2’-bipyridine

  • Product code: SSC-019163
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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: ＞97%
  • 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 1189458-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1189458-67-0 / 4-fluoro-2-(4-fluoro-2-pyridinyl)pyridine

4,4'-DIFLUORO-2,2'-BIPYRIDINE | MFCD11042493 | 4-fluoro-2-(4-fluoropyridin-2-yl)pyridine

Standard CAS: 1189458-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189458-67-0
Multi CAS
No
Molecular Formula
C10H6F2N2
Molecular Weight
192.160000
Exact Mass
192.049905
SMILES
C1=CN=C(C=C1F)C2=NC=CC(=C2)F
InChI
InChI=1S/C10H6F2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H
InChIKey
MKQUGHDXOCXHMY-UHFFFAOYSA-N
Synonyms
4,4'-DIFLUORO-2,2'-BIPYRIDINE MFCD11042493 4-fluoro-2-(4-fluoropyridin-2-yl)pyridine 4,4 inverted exclamation mark -Difluoro-2,2 inverted exclamation mark -bipyridine SCHEMBL810938

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.38
TPSA
25.78

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

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

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