Methyl 6-Chloropyridine-2-carboxylate - CAS 6636-55-1

Catalog:	BB033010
Product Name:	Methyl 6-Chloropyridine-2-carboxylate
CAS:	6636-55-1
Synonyms:	6-chloro-2-pyridinecarboxylic acid methyl ester; methyl 6-chloropyridine-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 6-chloropyridine-2-carboxylate
Description:	Methyl 6-Chloropyridine-2-carboxylate (CAS# 6636-55-1) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	COC(=O)C1=NC(=CC=C1)Cl
InChI:	InChI=1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChI Key:	TWUXBVMXSBEKHA-UHFFFAOYSA-N
Boiling Point:	275.832 °C at 760 mmHg
Density:	1.295 g/cm³
MDL:	MFCD00155391
LogP:	1.52160

Publication Number	Title	Priority Date
WO-2021143923-A1	Boronic acid derivatives	20200119
US-2020085832-A1	Deuterated analogs of an organic compound	20191122
WO-2021102221-A1	Deuterated analogs of an idh1 inhibitor	20191122
CN-111151248-A	Method for catalyzing heterocyclic halogen-containing organic matter hydrogenation dehalogenation by using supported metal oxide	20190619
CN-109832278-A	A kind of Synergistic herbicide compositions containing isoproturon	20190218

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GHS Hazard Statement:	H302 (66.67%): 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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2