Methyl 5-bromonicotinate

CAT: 0931-T5869-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T5869-01Size:500 mg

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CAS Number

29681-44-5

Purity

0.98

Bioactivity

Methyl 5-bromonicotinate, with CAS No. 29681-44-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Methyl 5-bromonicotinate provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

COC(=O)C1=CC(Br)=CN=C1

Molecular Formula

C7H6BrNO2

Molecular Weight

216.034

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Methyl 5-bromopyridine-3-carboxylate

CAS Number	29681-44-5
PubChem CID	699336
IUPAC Name	methyl 5-bromopyridine-3-carboxylate
Molecular Formula	C7H6BrNO2
Molecular Weight	216.03
XLogP	1.4
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3

InChIKey

AAJZXPWBILCHAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29681-44-5

CID: 699336

Formula: C7H6BrNO2

MW: 216.03

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	216.03
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.95819
Monoisotopic Mass	214.95819
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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

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Alternative Products

Catalog	Name
OR27415-01	Methyl 5-bromonicotinate
OR110269-01	Methyl 2-amino-5-bromonicotinate
sc-263680A	Methyl 6-amino-5-bromonicotinate
OR89136-01	Methyl 5-amino-6-bromonicotinate
454884-01	Methyl 2-bromonicotinate
455783-01	Methyl 6-bromonicotinate
239667-01	Methyl 2-Amino-5-bromonicotinate 98+% (HPLC)
OR51958	Methyl 6-amino-2-bromonicotinate
OR525658-01	Methyl 2-amino-6-bromonicotinate
NEB N0432S	5-Methyl-Cytidine-5’-Triphosphate (5-Methyl-CTP)

Methyl 5-bromonicotinate

Chemical Information

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