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CAS 1029691-30-2 2-(Difluoromethyl)-6-methylpyridine molecular structure lightbox
CAS RN: 1029691-30-2

2-(Difluoromethyl)-6-methylpyridine

  • Product code: SSC-004323
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1029691-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1029691-30-2 / 2-(difluoromethyl)-6-methylpyridine

2-(difluoromethyl)-6-methylpyridine | MFCD16140193 | 2-Methyl-6-difluoromethylpyridine

Standard CAS: 1029691-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029691-30-2
Multi CAS
No
Molecular Formula
C7H7F2N
Molecular Weight
143.130000
Exact Mass
143.054656
SMILES
CC1=NC(=CC=C1)C(F)F
InChI
InChI=1S/C7H7F2N/c1-5-3-2-4-6(10-5)7(8)9/h2-4,7H,1H3
InChIKey
QUEDRKKLXVSNPQ-UHFFFAOYSA-N
Synonyms
2-(difluoromethyl)-6-methylpyridine MFCD16140193 2-Methyl-6-difluoromethylpyridine SCHEMBL2019306 SCHEMBL2431463

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.93
TPSA
12.89

LogP / Solubility

WLOGP
2.33
MLOGP
2.04
XLogP3
1.9
Consensus LogP
2.09
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-1.94

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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