methyl 5-(dimethylamino)pyridine-3-carboxylate

methyl 5-(dimethylamino)pyridine-3-carboxylate

CAS: 29898-23-5

Formula: C9H12N2O2

SMILES: COC(=O)C1=CN=CC(=C1)N(C)C

IUPAC: methyl 5-(dimethylamino)pyridine-3-carboxylate

InChI: InChI=1S/C9H12N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h4-6H,1-3H3

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	0
InChIKey	UZBCZKOYJMGKCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.36
Topological Polar Surface Area	42.43
Polarizability	18.69
Ring Count	1
Rotatable Bond Count	3

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