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CAS 2089378-52-7 5-Cyclopropylpicolinic acid hydrochloride molecular structure lightbox
CAS RN: 2089378-52-7

5-Cyclopropylpicolinic acid hydrochloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100mg In stock Shanghai Inquiry
Batchno.20260427 1g In stock Shanghai Inquiry
Batchno.20250711 250mg In stock Shanghai Inquiry
Batchno.20260513 5g In stock Shanghai Inquiry
  • Product code: LINC900627
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2089378-52-7 / 5-cyclopropylpyridine-2-carboxylic acid;hydrochloride

Standard CAS: 2089378-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089378-52-7
Multi CAS
No
Molecular Formula
C9H10ClNO2
Molecular Weight
199.630000
Exact Mass
199.040006
SMILES
C1CC1C2=CN=C(C=C2)C(=O)O.Cl
InChI
InChI=1S/C9H9NO2.ClH/c11-9(12)8-4-3-7(5-10-8)6-1-2-6;/h3-6H,1-2H2,(H,11,12);1H
InChIKey
QAWNANVOTADYBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.42
TPSA
50.19

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.46

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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