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ethyl 5-(aminomethyl)pyridine-2-carboxylate

ethyl 5-(aminomethyl)pyridine-2-carboxylate

CAS: 794464-09-8

Formula: C9H12N2O2

SMILES: CCOC(=O)C1=NC=C(CN)C=C1

IUPAC: ethyl 5-(aminomethyl)pyridine-2-carboxylate

InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)8-4-3-7(5-10)6-11-8/h3-4,6H,2,5,10H2,1H3

Composition: C (59.99%), H (6.71%), N (15.55%), O (17.76%)

Molar Mass: 180.207

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.089877634
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UUHPCEHBXXFHDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.78
Topological Polar Surface Area 65.21
Polarizability 19.07
Ring Count 1
Rotatable Bond Count 4

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