2-propylpyridine-4-carboxylic acid

2-propylpyridine-4-carboxylic acid

CAS: 57663-82-8

Formula: C9H11NO2

SMILES: CCCC1=NC=CC(=C1)C(O)=O

IUPAC: 2-propylpyridine-4-carboxylic acid

InChI: InChI=1S/C9H11NO2/c1-2-3-8-6-7(9(11)12)4-5-10-8/h4-6H,2-3H2,1H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RNLPLVSFHJFQAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.98
Topological Polar Surface Area	50.19
Polarizability	17.21
Ring Count	1
Rotatable Bond Count	3

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