Methyl 6-(Trifluoromethyl)nicotinate - CAS 221313-10-6

Catalog:	BB017411
Product Name:	Methyl 6-(Trifluoromethyl)nicotinate
CAS:	221313-10-6
Synonyms:	6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester; methyl 6-(trifluoromethyl)pyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-(trifluoromethyl)pyridine-3-carboxylate
Description:	Methyl 6-(Trifluoromethyl)nicotinate (CAS# 221313-10-6) is a useful research chemical.
Molecular Weight:	205.13
Molecular Formula:	C8H6F3NO2
Canonical SMILES:	COC(=O)C1=CN=C(C=C1)C(F)(F)F
InChI:	InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3
InChI Key:	NEATXKNYTRXHQL-UHFFFAOYSA-N
Boiling Point:	209.4 °C at 760 mmHg
Density:	1.331 g/cm³
MDL:	MFCD03001346
LogP:	1.88700

Publication Number	Title	Priority Date
WO-2021080330-A1	Nicotinamide compound and herbicidal composition comprising compound	20191021
KR-20210047264-A	Nicotinamide Compounds and Herbicide Composition Comprising the Same	20191021
WO-2020108538-A1	RORÎ³ INHIBITOR HAVING SULFONYL STRUCTURE	20181127
JP-2018076298-A	Heterocyclic amide compounds	20161102
JP-2017025054-A	Heterocyclic amide compounds	20141203

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.03506292
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.03506292
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6