3-bromopyridine-2,6-dicarboxylic acid

3-bromopyridine-2,6-dicarboxylic acid

CAS: 316808-10-3

Formula: C7H4BrNO4

SMILES: OC(=O)C1=CC=C(Br)C(=N1)C(O)=O

IUPAC: 3-bromopyridine-2,6-dicarboxylic acid

InChI: InChI=1S/C7H4BrNO4/c8-3-1-2-4(6(10)11)9-5(3)7(12)13/h1-2H,(H,10,11)(H,12,13)

Composition: C (34.18%), H (1.64%), Br (32.48%), N (5.69%), O (26.01%)

Molar Mass: 246.016

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.932371
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	IKHJUSWVJKICAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.29
Topological Polar Surface Area	87.49
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	2

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