1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic acid

1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic acid

CAS: 799283-93-5

Formula: C10H12BrN3O2

SMILES: OC(=O)C1CCCN(C1)C1=NC=C(Br)C=N1

IUPAC: 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic acid

InChI: InChI=1/C10H12BrN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)

Composition: C (41.98%), H (4.23%), Br (27.93%), N (14.69%), O (11.18%)

Molar Mass: 286.129

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	285.01129
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UTUXFIHDAKRGAT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.95
Topological Polar Surface Area	66.32
Polarizability	23.53
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	799283-93-5		$51.35-$571.38$51.35$63.37$86.31$571.38