2-Chloro-5-ethynylpyrimidine

CAT: 0127-OR1040710-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1040710-01Size:100 mg

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CAS Number

1196156-89-4

MDL Number

MFCD13189782

Purity

98%

Smiles

C#CC1=CN=C(Cl)N=C1

Chemical Information

2-Chloro-5-ethynylpyrimidine

CAS Number	1196156-89-4
PubChem CID	71743809
IUPAC Name	2-chloro-5-ethynylpyrimidine
Molecular Formula	C6H3ClN2
Molecular Weight	138.55
XLogP	1.4
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	129

SMILES

C#CC1=CN=C(N=C1)Cl

InChI

InChI=1S/C6H3ClN2/c1-2-5-3-8-6(7)9-4-5/h1,3-4H

InChIKey

DSPBPHGCXOTQQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1196156-89-4

CID: 71743809

Formula: C6H3ClN2

MW: 138.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.55
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.9984758
Monoisotopic Mass	137.9984758
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	129
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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OR904484-01	2-Ethynylpyrimidine
OR2912-01	2-Chloro-5-ethylpyrimidine
OR76148-01	2-Chloro-5-ethynylpyridine
OR53004-01	5-Chloro-2-ethynylpyridine
OR1045036-01	5-Chloro-2-ethynylpyridine hydrochloride
OR303787	2-Amino-5-chloro-3-ethynylpyridine

Catalog	Name
159480	2-Chloro-5-ethynylpyrimidine
161853	5-Chloro-2-ethynylpyrimidine
JH84635	4-chloro-2-ethynylpyrimidine
MBA96869-01	2-Chloro-4-ethynylpyrimidine
NE44302-01	5-Ethynylpyrimidine
sc-318327A	5-Bromo-2-ethynylpyrimidine
TRC-B684830-500MG	2-Bromo-5-ethynylpyrimidine
FE144150-01	2-Ethynylpyrimidine
sc-318452	5-Chloro-2- (2-chloro-5-methylphenoxy) aniline
sc-316099	4-Chloro-2- (5-chloro-2-fluorophenyl) -5-methoxypyrimidine