6-(3-methoxyphenyl)pyridine-3-carboxylic acid

6-(3-methoxyphenyl)pyridine-3-carboxylic acid

CAS: 887976-16-1

Formula: C13H11NO3

SMILES: COC1=CC=CC(=C1)C1=CC=C(C=N1)C(O)=O

IUPAC: 6-(3-methoxyphenyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C13H11NO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)

Composition: C (68.11%), H (4.84%), N (6.11%), O (20.94%)

Molar Mass: 229.235

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.073893218
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IMCPEUZGVSCIJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.38
Topological Polar Surface Area	59.42
Polarizability	25.22
Ring Count	2
Rotatable Bond Count	3

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