5-chloropyridine-3,4-dicarboxylic acid

5-chloropyridine-3,4-dicarboxylic acid

CAS: 101420-62-6

Formula: C7H4ClNO4

SMILES: OC(=O)C1=CN=CC(Cl)=C1C(O)=O

IUPAC: 5-chloropyridine-3,4-dicarboxylic acid

InChI: InChI=1S/C7H4ClNO4/c8-4-2-9-1-3(6(10)11)5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)

Composition: C (41.71%), H (2.00%), Cl (17.59%), N (6.95%), O (31.75%)

Molar Mass: 201.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.9828853
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZUGJYIOPGDYHRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.22
Topological Polar Surface Area	87.49
Polarizability	16.29
Ring Count	1
Rotatable Bond Count	2

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