2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,7H-thieno[2,3-c]pyridine-3-carbonitrile|2-Amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridiny l]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-car...

General Information

Structure

Molecular Formula

C₁₄H₁₀ClF₃N₄S

Molecular Mass

358.7692096

Exact Mass

358.02667968

Charge

InChI

InChI=1S/C14H10ClF3N4S/c15-10-3-7(14(16,17)18)5-21-13(10)22-2-1-8-9(4-19)12(20)23-11(8)6-22/h3,5H,1-2,6,20H2

InChIKey

JFVWWXWKGBBGQC-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(N)sc2c1CCN(C2)c1ncc(cc1Cl)C(F)(F)F

Isomeric Smiles

c1(c(sc2c1CCN(c1ncc(cc1Cl)C(F)(F)F)C2)N)C#N

Calculated Properties

JChem

Acid pKa

19.29561

H Acceptors

H Donor

LogD (pH = 5.5)

3.8063133

LogD (pH = 7.4)

3.8103256

Log P

3.8103771

Molar Refractivity

83.8157

Polarizability

29.728485

Polar Surface Area

65.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridiny l]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbo2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile2-Amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

IUPAC Traditional name

2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,7H-thieno[2,3-c]pyridine-3-carbonitrile

IUPAC name

2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile

Names and Identifiers

Registration numbers

MDL Number

MFCD00180796

PubChem CID

1483744

PubChem SID

162045204