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2-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride

2-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride

CAS: 2361643-61-8

Formula: C9H12ClN3O2

SMILES: Cl.OC(=O)C1=CC=NC(=N1)N1CCCC1

IUPAC: 2-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride

InChI: InChI=1S/C9H11N3O2.ClH/c13-8(14)7-3-4-10-9(11-7)12-5-1-2-6-12;/h3-4H,1-2,5-6H2,(H,13,14);1H

Composition: C (47.07%), H (5.27%), Cl (15.44%), N (18.30%), O (13.93%)

Molar Mass: 229.66

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.0618043
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GGIIQDNTBSZNPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.52
Topological Polar Surface Area 66.32
Polarizability 18.72
Ring Count 2
Rotatable Bond Count 2

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