5-bromopyrimidine-2-carboxylic acid

5-bromopyrimidine-2-carboxylic acid

CAS: 37131-87-6

Formula: C5H3BrN2O2

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

IUPAC: 5-bromopyrimidine-2-carboxylic acid

InChI: InChI=1S/C5H3BrN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)

Composition: C (29.58%), H (1.49%), Br (39.36%), N (13.80%), O (15.76%)

Molar Mass: 202.995

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.93779
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XGPTXUYKEDPXCO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.26
Topological Polar Surface Area	63.08
Polarizability	14.09
Ring Count	1
Rotatable Bond Count	1

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