Ethyl 4-chloropicolinate

CAT: 0127-OR302229-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR302229-01Size:1 g

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CAS Number

64064-56-8

MDL Number

MFCD09702465

Purity

97%

Smiles

CCOC(=O)c1cc(Cl)ccn1

Chemical Information

4-Chloropyridine-2-carboxylic acid ethyl ester

CAS Number	64064-56-8
PubChem CID	13015359
IUPAC Name	ethyl 4-chloropyridine-2-carboxylate
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61
XLogP	2
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCOC(=O)C1=NC=CC(=C1)Cl

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3

InChIKey

MXEIFGRJRCYUDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64064-56-8

CID: 13015359

Formula: C8H8ClNO2

MW: 185.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.61
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.0243562
Monoisotopic Mass	185.0243562
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR55561-01	Ethyl 5-amino-3-chloropicolinate
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OR79534-01	Ethyl 3-bromo-6-chloropicolinate
OR1098968-01	Ethyl 6-bromo-3-chloropicolinate
OR94047-01	Ethyl 3-amino-5-chloropicolinate
OR961658-01	Ethyl 5-bromo-6-chloropicolinate
OR55556	Ethyl 5- (BOC-amino) -3-chloropicolinate
OR90109-01	Tert-Butyl 4-chloropicolinate

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