5-(2,2-dimethylpropanamido)pyridine-3-carboxylic acid

5-(2,2-dimethylpropanamido)pyridine-3-carboxylic acid

CAS: 879326-77-9

Formula: C11H14N2O3

SMILES: CC(C)(C)C(=O)NC1=CN=CC(=C1)C(O)=O

IUPAC: 5-(2,2-dimethylpropanamido)pyridine-3-carboxylic acid

InChI: InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)

Composition: C (59.45%), H (6.35%), N (12.61%), O (21.60%)

Molar Mass: 222.244

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.100442319
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VHYYHNBAUXHABM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.72
Topological Polar Surface Area	79.29
Polarizability	22.21
Ring Count	1
Rotatable Bond Count	3

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