2-ethynyl-5-methylpyridine

2-ethynyl-5-methylpyridine

CAS: 30413-61-7

Formula: C8H7N

SMILES: CC1=CN=C(C=C1)C#C

IUPAC: 2-ethynyl-5-methylpyridine

InChI: InChI=1S/C8H7N/c1-3-8-5-4-7(2)6-9-8/h1,4-6H,2H3

Composition: C (82.02%), H (6.02%), N (11.96%)

Molar Mass: 117.151

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	117.057849229
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RENKQEMYPXHMKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.74
Topological Polar Surface Area	12.89
Polarizability	13.79
Ring Count	1
Rotatable Bond Count	0

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