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CAS 1049744-89-9 2-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1049744-89-9

2-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE

  • Product code: starshine_CAS1049744-89-9
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1049744-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g 95%+ 0 Out of Stock Hong Kong Inquiry
1g 95%+ 0 Out of Stock Beijing Inquiry
5g 95%+ 0 Out of Stock Shanghai Inquiry
10g 95%+ 0 Out of Stock Hong Kong Inquiry

1049744-89-9 / [5-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride

2-Hydrazino-5-(trifluoromethyl)pyridine, HCl | MFCD04966827 | [5-(trifluoromethyl)pyridin-2-yl]hydrazine;hydrochloride

Standard CAS: 1049744-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1049744-89-9
Multi CAS
Yes
Molecular Formula
C6H7ClF3N3
Molecular Weight
213.590000
Exact Mass
213.028059
SMILES
C1=CC(=NC=C1C(F)(F)F)NN.Cl
InChI
InChI=1S/C6H6F3N3.ClH/c7-6(8,9)4-1-2-5(12-10)11-3-4;/h1-3H,10H2,(H,11,12);1H
InChIKey
LCEPARDLEACIDZ-UHFFFAOYSA-N
Synonyms
2-Hydrazino-5-(trifluoromethyl)pyridine, HCl MFCD04966827 [5-(trifluoromethyl)pyridin-2-yl]hydrazine;hydrochloride 2-Hydrazineyl-5-(trifluoromethyl)pyridine hydrochloride 2-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.3
TPSA
50.94

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.74

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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