3-Bromo-4-methylpyridine

CAT: 0926-FB01016-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FB01016-01Size:50 g

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CAS Number

3430-22-6

MDL Number

MFCD00082592

Smiles

CC1=C (C=NC=C1) Br

Molecular Formula

C6H6BrN

Molecular Weight

172.02 g/mol

Controlled

Chemical Information

3-Bromo-4-methylpyridine

CAS Number	3430-22-6
PubChem CID	817630
IUPAC Name	3-bromo-4-methylpyridine
Molecular Formula	C6H6BrN
Molecular Weight	172.02
XLogP	1.9
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

CC1=C(C=NC=C1)Br

InChI

InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3

InChIKey

GSQZOLXWFQQJHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3430-22-6

CID: 817630

Formula: C6H6BrN

MW: 172.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.02
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	170.96836
Monoisotopic Mass	170.96836
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
FB11223-01	2-Bromo-4-methylpyridine
KAC01008-01	3-Bromo-5-chloro-4-methylpyridine
LYB52146	2-bromo-4-chloro-3-methylpyridine
JKB49542	2-Bromo-3-chloro-4-methylpyridine
BPA45786	5-bromo-4-methylpyridine-3-carbaldehyde
LYB53644-01	3-Bromo-4-fluoro-5-methylpyridine
LYB52846-01	3-Bromo-4-fluoro-2-methylpyridine
FB105169	3-bromo-2-fluoro-4-methylpyridine
NXB14052-01	4-Bromo-3-chloro-2-methylpyridine
MKD78224-01	3-Bromo-5-ethynyl-4-methylpyridine

Catalog	Name
431027-01	4-bromo-3-methylpyridine
RG-A261695-01	3-Bromo-4-Methylpyridine
B2860-77A	3-Bromo-4-methylpyridine (3-Bromo-4-picoline)
OR1050-01	4-Bromo-3-methylpyridine hydrochloride
431029-01	4-Bromo-3-methylpyridine, HCl
sc-261806	4-Bromo-3-methylpyridine HBR
abx182054-01	4-Bromo-2-methylpyridine
HY-W007579-01	2-Bromo-4-methylpyridine