3-[(5-bromopyridin-2-yl)carbamoyl]propanoic acid

3-[(5-bromopyridin-2-yl)carbamoyl]propanoic acid

CAS: 188011-69-0

Formula: C9H9BrN2O3

SMILES: OC(=O)CCC(=O)NC1=NC=C(Br)C=C1

IUPAC: 3-[(5-bromopyridin-2-yl)carbamoyl]propanoic acid

InChI: InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)

Composition: C (39.58%), H (3.32%), Br (29.26%), N (10.26%), O (17.58%)

Molar Mass: 273.086

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.979655
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XFYYQDHEDOXWGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.59
Topological Polar Surface Area	79.29
Polarizability	21.58
Ring Count	1
Rotatable Bond Count	4

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