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CAS 1182940-73-3 3-(4-fluoro-3-methylbenzoyl)pyridine molecular structure lightbox
CAS RN: 1182940-73-3

3-(4-fluoro-3-methylbenzoyl)pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1182940-73-3
  • Purity/Analytical Methods: >99.0%
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1182940-73-3 / (4-fluoro-3-methylphenyl)-pyridin-3-ylmethanone

3-(4-fluoro-3-methylbenzoyl)pyridine | (4-Fluoro-3-methylphenyl)(pyridin-3-yl)methanone | (4-fluoro-3-methylphenyl)-pyridin-3-ylmethanone

Standard CAS: 1182940-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1182940-73-3
Multi CAS
No
Molecular Formula
C13H10FNO
Molecular Weight
215.220000
Exact Mass
215.074642
SMILES
CC1=C(C=CC(=C1)C(=O)C2=CN=CC=C2)F
InChI
InChI=1S/C13H10FNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h2-8H,1H3
InChIKey
WNIOHNLBJIIKDP-UHFFFAOYSA-N
Synonyms
3-(4-fluoro-3-methylbenzoyl)pyridine (4-Fluoro-3-methylphenyl)(pyridin-3-yl)methanone (4-fluoro-3-methylphenyl)-pyridin-3-ylmethanone MFCD12808133 3-[(4-fluoro-3-methylphenyl)carbonyl]pyridine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.81
TPSA
29.96

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.7
Consensus LogP
2.63
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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