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N-(5-Fluoro-pyridin-2-yl)-2,2-dimethyl-propionamide

N-(5-Fluoro-pyridin-2-yl)-2,2-dimethyl-propionamide - CAS 784155-54-0

Catalog:	BB036167
Product Name:	N-(5-Fluoro-pyridin-2-yl)-2,2-dimethyl-propionamide
CAS:	784155-54-0
Synonyms:	N-(5-fluoropyridin-2-yl)-2,2-dimethylpropanamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(5-fluoropyridin-2-yl)-2,2-dimethylpropanamide
Description:	N-(5-Fluoro-pyridin-2-yl)-2,2-dimethyl-propionamide (CAS# 784155-54-0) is a useful research chemical.
Molecular Weight:	196.22
Molecular Formula:	C10H13FN2O
Canonical SMILES:	CC(C)(C)C(=O)NC1=NC=C(C=C1)F
InChI:	InChI=1S/C10H13FN2O/c1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	WIAYCNUDQFSZFQ-UHFFFAOYSA-N
Boiling Point:	333.316 °C at 760 mmHg
Density:	1.158 g/cm³
MDL:	MFCD08688588
LogP:	2.27830

Publication Number	Title	Priority Date
EP-3371191-A1	Novel tricyclic compounds as inhibitors of mutant idh enzymes	20151029
US-10399972-B2	Tricyclic compounds as inhibitors of mutant IDH enzymes	20151029
US-2018305352-A1	Novel tricyclic compounds as inhibitors of mutant idh enzymes	20151029
WO-2017074914-A1	Novel tricyclic compounds as inhibitors of mutant idh enzymes	20151029
EP-3371191-B1	Novel tricyclic compounds as inhibitors of mutant idh enzymes	20151029

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Related Functional Groups

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.1011912
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.1011912
Rotatable Bond Count:	2
Topological Polar Surface Area:	42
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9