tert-Butyl 6-Chloropyridine-2-carboxylate - CAS 1280786-59-5

Catalog:	BB006871
Product Name:	tert-Butyl 6-Chloropyridine-2-carboxylate
CAS:	1280786-59-5
Synonyms:	6-chloro-2-pyridinecarboxylic acid tert-butyl ester; tert-butyl 6-chloropyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 6-chloropyridine-2-carboxylate
Description:	tert-Butyl 6-Chloropyridine-2-carboxylate (CAS# 1280786-59-5) is a useful research chemical.
Molecular Weight:	213.66
Molecular Formula:	C10H12ClNO2
Canonical SMILES:	CC(C)(C)OC(=O)C1=NC(=CC=C1)Cl
InChI:	InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3
InChI Key:	DVPHJLOQDYBPAW-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.69030

Publication Number	Title	Priority Date
WO-2020222189-A1	Crystalline form of 6-[4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-n-(pyrdin-4-yl)pyridine-2-carboxamide	20190502
WO-2020222190-A1	Crystalline form of 6-[4-[1 -(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1 -yl]-n-(pyrdin-4-yl)pyridine-2-carboxamide	20190502
US-10196386-B2	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20160713
US-2018016267-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20160713
WO-2018011090-A1	Hydroxyquinolinone compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20160713

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0556563
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3