6-(Trifluoromethyl)pyridine-3-carboxamidine - CAS 438249-89-9

Catalog:	BB025470
Product Name:	6-(Trifluoromethyl)pyridine-3-carboxamidine
CAS:	438249-89-9
Synonyms:	6-(trifluoromethyl)-3-pyridinecarboximidamide; 6-(trifluoromethyl)pyridine-3-carboximidamide

Technical Data

Patents

Computed Properties

IUPAC Name:	6-(trifluoromethyl)pyridine-3-carboximidamide
Description:	6-(Trifluoromethyl)pyridine-3-carboxamidine (CAS# 438249-89-9) is useful in study of capillary electrophoresis use in fragment-based drug discovery.
Molecular Weight:	189.14
Molecular Formula:	C7H6F3N3
Canonical SMILES:	C1=CC(=NC=C1C(=N)N)C(F)(F)F
InChI:	InChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-4(3-13-5)6(11)12/h1-3H,(H3,11,12)
InChI Key:	HEJHFZBJXIMGQF-UHFFFAOYSA-N
Boiling Point:	225.4 °C at 760 mmHg
Density:	1.46 g/cm³
MDL:	MFCD09751605
LogP:	2.18450

Publication Number	Title	Priority Date
WO-2014149208-A1	Purine-based pesticidal compositions and related methods	20130315
AU-2012280420-A1	1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
AU-2012280420-B2	1, 2, 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
CA-2837247-A1	1 , 2 , 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701
CA-2837247-C	1 , 2 , 4 -thiadiazol- 5 -ylpiperazine derivatives useful in the treatment neurodegenerative diseases	20110701

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Related Functional Groups

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.05138169
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.05138169
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7