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CAS 1060811-01-9 1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 1060811-01-9

1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-007823
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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 1060811-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1060811-01-9 / 1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxylic acid

1-[6-(trifluoromethyl)-3-pyridyl]cyclopropanecarboxylic acid | MFCD13188835 | 1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxylic acid

Standard CAS: 1060811-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060811-01-9
Multi CAS
No
Molecular Formula
C10H8F3NO2
Molecular Weight
231.170000
Exact Mass
231.050713
SMILES
C1CC1(C2=CN=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H8F3NO2/c11-10(12,13)7-2-1-6(5-14-7)9(3-4-9)8(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKey
AUGIDCOYKPCYOG-UHFFFAOYSA-N
Synonyms
1-[6-(trifluoromethyl)-3-pyridyl]cyclopropanecarboxylic acid MFCD13188835 1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxylic acid 1-(6-(Trifluoromethyl)pyridin-3-yl)cyclopropane-1-carboxylic acid 1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.79
TPSA
50.19

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.56

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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