6-(methoxycarbonyl)pyridine-3-carboxylic acid

6-(methoxycarbonyl)pyridine-3-carboxylic acid

CAS: 17874-76-9

Formula: C8H7NO4

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

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

InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,10,11)

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.037507709
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QRSXLMSDECGEOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.81
Topological Polar Surface Area	76.49
Polarizability	16.32
Ring Count	1
Rotatable Bond Count	3

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