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CAS 1052714-11-0 Methyl 3-amino-5-fluoropicolinate molecular structure lightbox
CAS RN: 1052714-11-0

Methyl 3-amino-5-fluoropicolinate

  • Product code: SSC-007025
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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: 1g
  • 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 1052714-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1052714-11-0 / methyl 3-amino-5-fluoropyridine-2-carboxylate

METHYL 3-AMINO-5-FLUOROPICOLINATE | methyl 3-amino-5-fluoropyridine-2-carboxylate | MFCD18259055

Standard CAS: 1052714-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1052714-11-0
Multi CAS
No
Molecular Formula
C7H7FN2O2
Molecular Weight
170.140000
Exact Mass
170.049156
SMILES
COC(=O)C1=C(C=C(C=N1)F)N
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,9H2,1H3
InChIKey
ZPCNPGDFUPKRNZ-UHFFFAOYSA-N
Synonyms
METHYL 3-AMINO-5-FLUOROPICOLINATE methyl 3-amino-5-fluoropyridine-2-carboxylate MFCD18259055 SCHEMBL319381 ZPCNPGDFUPKRNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.95
TPSA
65.21

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
1
Consensus LogP
0.7
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.34

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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