6-tert-butylpyridine-3-carboxylic acid

6-tert-butylpyridine-3-carboxylic acid

CAS: 832715-99-8

Formula: C10H13NO2

SMILES: CC(C)(C)C1=NC=C(C=C1)C(O)=O

IUPAC: 6-tert-butylpyridine-3-carboxylic acid

InChI: InChI=1S/C10H13NO2/c1-10(2,3)8-5-4-7(6-11-8)9(12)13/h4-6H,1-3H3,(H,12,13)

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CVGXKEVUQXTBGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.45
Topological Polar Surface Area	50.19
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	2

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