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methyl 3-cyanopyridine-4-carboxylate

methyl 3-cyanopyridine-4-carboxylate

CAS: 36106-47-5

Formula: C8H6N2O2

SMILES: COC(=O)C1=CC=NC=C1C#N

IUPAC: methyl 3-cyanopyridine-4-carboxylate

InChI: InChI=1S/C8H6N2O2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,1H3

Composition: C (59.26%), H (3.73%), N (17.28%), O (19.73%)

Molar Mass: 162.148

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.042927441
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SHIFALBCZSVPPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.65
Topological Polar Surface Area 62.98
Polarizability 15.72
Ring Count 1
Rotatable Bond Count 2

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