2-Ethynylpyridine

CAT: 0926-FE35094-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FE35094-02Size:10 g

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CAS Number

1945-84-2

MDL Number

MFCD00041598

Smiles

C#CC1=CC=CC=N1

Molecular Formula

C7H5N

Molecular Weight

103.12 g/mol

Controlled

Chemical Information

Ethynylpyridine

structure in first source

CAS Number	1945-84-2
PubChem CID	137268
IUPAC Name	2-ethynylpyridine
Molecular Formula	C7H5N
Molecular Weight	103.12
XLogP	1
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	109

SMILES

C#CC1=CC=CC=N1

InChI

InChI=1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H

InChIKey

NHUBNHMFXQNNMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1945-84-2

CID: 137268

Formula: C7H5N

MW: 103.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	103.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	103.042199164
Monoisotopic Mass	103.042199164
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	109
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
UXA67228-01	2-Bromo-5-ethynylpyridine
IRB70577-01	5-Ethynylpyridine-2-methanol
WXB15617-01	2-Bromo-4-ethynylpyridine
NKA01263-01	2-Chloro-5-ethynylpyridine
LYB58419-01	5-Ethynylpyridine-2-carbonitrile
PLB95009-01	2-chloro-6-ethynylpyridine
WXB15669-01	2-Chloro-3-ethynylpyridine
WXB15485-01	2-Ethoxy-5-ethynylpyridine
IHA43897-01	6-Ethynylpyridine-2-carbaldehyde
FE155320	4-Ethynylpyridine

Catalog	Name
275529-01	2-Ethynylpyridine
161852	5-Chloro-2-ethynylpyridine
TRC-B684805-2.5G	5-Bromo-2-ethynylpyridine
OR903659-01	2-Chloro-4-ethynylpyridine
OR53008	5-Ethynylpyridine-2-carbonitrile
OR20052	5-Acetyl-2-ethynylpyridine
OR78215-01	2-Bromo-4-ethynylpyridine
430742-01	4-Bromo-2-ethynylpyridine
sc-504110	2-Bromo-5-ethynylpyridine
PC100650-01	5- (Difluoromethyl) -2-ethynylpyridine