3-cyano-5-methoxypyridine-4-carboxylic acid

3-cyano-5-methoxypyridine-4-carboxylic acid

CAS: 1138444-09-3

Formula: C8H6N2O3

SMILES: COC1=CN=CC(C#N)=C1C(O)=O

IUPAC: 3-cyano-5-methoxypyridine-4-carboxylic acid

InChI: InChI=1S/C8H6N2O3/c1-13-6-4-10-3-5(2-9)7(6)8(11)12/h3-4H,1H3,(H,11,12)

Composition: C (53.94%), H (3.39%), N (15.73%), O (26.94%)

Molar Mass: 178.147

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.037842061
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LLCIVMLWBCMHRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.34
Topological Polar Surface Area	83.21
Polarizability	16.22
Ring Count	1
Rotatable Bond Count	2

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