Methyl 3-bromopyridine-2-acetate

CAT: 0926-SHA64295Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-SHA64295Size:2.5 g

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CAS Number

192642-95-8

MDL Number

MFCD19707048

Smiles

COC (=O) CC1=C (C=CC=N1) Br

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06 g/mol

Controlled

Chemical Information

Methyl 2-(3-bromopyridin-2-yl)acetate

CAS Number	192642-95-8
PubChem CID	57415880
IUPAC Name	methyl 2-(3-bromo-2-pyridinyl)acetate
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	1.4
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

COC(=O)CC1=C(C=CC=N1)Br

InChI

InChI=1S/C8H8BrNO2/c1-12-8(11)5-7-6(9)3-2-4-10-7/h2-4H,5H2,1H3

InChIKey

KCXIUMHZGOAWOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 192642-95-8

CID: 57415880

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.97384
Monoisotopic Mass	228.97384
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
TEA65008-01	Methyl 2- (5-bromopyridin-3-yl) acetate
MGA61512-01	Methyl 2- (3-bromopyridin-4-yl) acetate
CZB04873-01	Methyl 2-amino-6-bromopyridine-3-carboxylate
KAC67258-01	Methyl 6-amino-2-bromopyridine-3-carboxylate
FXC61677-01	Methyl 5-amino-2-bromopyridine-3-carboxylate
HCA06978-01	Methyl 2- (2-methyl-3-oxocyclopentyl) acetate
SFA32744-01	Methyl 2- (3-Formylphenyl) acetate
LDA57686-01	Methyl 2- (3-hydroxycyclohexyl) acetate
IGA19647-01	Methyl 2- (3-aminophenoxy) acetate
FUB66534-01	Methyl 2- (3-oxetanylidene) acetate

Catalog	Name
abx181819-01	2-Methyl-3-bromopyridine
OR16874-01	Methyl 3-bromopyridine-2-carboxylate
sc-235669	Methyl 2-bromopyridine-3-carboxylate
258561-01	2-Amino-3-methyl-5-bromopyridine
OR1002575	Methyl 2- (aminomethyl) -6-bromopyridine-3-carboxylate
OR74811-01	Methyl 3-amino-5-bromopyridine-2-carboxylate
sc-235670	Methyl 2-bromopyridine-4-carboxylate
OR9577-01	Methyl 4-bromopyridine-2-carboxylate
abx186681-01	Methyl 2-amino-5-bromopyridine-3-carboxylate
OR11647-01	Methyl 6-amino-3-bromopyridine-2-carboxylate