methyl 2-(3-cyanopyridin-4-yl)acetate

methyl 2-(3-cyanopyridin-4-yl)acetate

CAS: 124870-33-3

Formula: C9H8N2O2

SMILES: COC(=O)CC1=CC=NC=C1C#N

IUPAC: methyl 2-(3-cyanopyridin-4-yl)acetate

InChI: InChI=1S/C9H8N2O2/c1-13-9(12)4-7-2-3-11-6-8(7)5-10/h2-3,6H,4H2,1H3

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.058577506
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NWUXXKOZANWHAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.7
Topological Polar Surface Area	62.98
Polarizability	17.57
Ring Count	1
Rotatable Bond Count	3

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