5-(2,4-dimethylphenyl)pyridine-2-carboxylic acid

5-(2,4-dimethylphenyl)pyridine-2-carboxylic acid

CAS: 1226037-84-8

Formula: C14H13NO2

SMILES: CC1=CC=C(C(C)=C1)C1=CC=C(N=C1)C(O)=O

IUPAC: 5-(2,4-dimethylphenyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C14H13NO2/c1-9-3-5-12(10(2)7-9)11-4-6-13(14(16)17)15-8-11/h3-8H,1-2H3,(H,16,17)

Composition: C (73.99%), H (5.77%), N (6.16%), O (14.08%)

Molar Mass: 227.263

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	227.094628663
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XMGLKUXHZFHPPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66
Topological Polar Surface Area	50.19
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	2

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