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CAS 1206247-86-0 2-(2-Chloropyridin-4-yl)ethanol molecular structure lightbox
CAS RN: 1206247-86-0

2-(2-Chloropyridin-4-yl)ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1206247-86-0
  • Purity/Analytical Methods: >99.0%
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1206247-86-0 / 2-(2-chloro-4-pyridinyl)ethanol

2-(2-CHLOROPYRIDIN-4-YL)ETHANOL | 2-(2-CHLORO-PYRIDIN-4-YL)-ETHANOL | 2-(2-chloropyridin-4-yl)ethan-1-ol

Standard CAS: 1206247-86-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206247-86-0
Multi CAS
No
Molecular Formula
C7H8ClNO
Molecular Weight
157.600000
Exact Mass
157.029442
SMILES
C1=CN=C(C=C1CCO)Cl
InChI
InChI=1S/C7H8ClNO/c8-7-5-6(2-4-10)1-3-9-7/h1,3,5,10H,2,4H2
InChIKey
BQPLLPCQEXIZDS-UHFFFAOYSA-N
Synonyms
2-(2-CHLOROPYRIDIN-4-YL)ETHANOL 2-(2-CHLORO-PYRIDIN-4-YL)-ETHANOL 2-(2-chloropyridin-4-yl)ethan-1-ol MFCD14582035 2-(2-chloro-4-pyridyl)ethanol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.04
TPSA
33.12

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.4
Consensus LogP
1.26
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.78

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] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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