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CAS 10177-06-7 2,6-DICHLORO-5-PHENYLNICOTINONITRILE molecular structure lightbox
CAS RN: 10177-06-7

2,6-DICHLORO-5-PHENYLNICOTINONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10177-06-7
  • Purity/Analytical Methods: >99.0%
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10177-06-7 / 2,6-dichloro-5-phenylpyridine-3-carbonitrile

2,6-dichloro-5-phenylnicotinonitrile | 2,6-dichloro-5-phenylpyridine-3-carbonitrile | MFCD00235086

Standard CAS: 10177-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10177-06-7
Multi CAS
No
Molecular Formula
C12H6Cl2N2
Molecular Weight
249.090000
Exact Mass
247.990804
SMILES
C1=CC=C(C=C1)C2=C(N=C(C(=C2)C#N)Cl)Cl
InChI
InChI=1S/C12H6Cl2N2/c13-11-9(7-15)6-10(12(14)16-11)8-4-2-1-3-5-8/h1-6H
InChIKey
USEKKVXWLMTDNW-UHFFFAOYSA-N
Synonyms
2,6-dichloro-5-phenylnicotinonitrile 2,6-dichloro-5-phenylpyridine-3-carbonitrile MFCD00235086 3-Pyridinecarbonitrile, 2,6-dichloro-5-phenyl- SBB100522

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.41
TPSA
36.68

LogP / Solubility

WLOGP
3.93
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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