3-ethynyl-5-methoxypyridine

3-ethynyl-5-methoxypyridine

CAS: 686768-50-3

Formula: C8H7NO

SMILES: COC1=CN=CC(=C1)C#C

IUPAC: 3-ethynyl-5-methoxypyridine

InChI: InChI=1S/C8H7NO/c1-3-7-4-8(10-2)6-9-5-7/h1,4-6H,2H3

Composition: C (72.17%), H (5.30%), N (10.52%), O (12.02%)

Molar Mass: 133.15

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	133.052763849
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YZVXHJYUMFFDQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.54
Topological Polar Surface Area	22.12
Polarizability	14.52
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.82%	<7 Days	686768-50-3		$102.85-$1,103.30$102.85$170.17$424.49$1,103.30

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98%	<7 Days	686768-50-3		$114.89-$1,194.39$114.89$189.41$470.93$1,194.39