3-[(5-chloropyridin-2-yl)amino]propanoic acid

3-[(5-chloropyridin-2-yl)amino]propanoic acid

CAS: 33390-63-5

Formula: C8H9ClN2O2

SMILES: OC(=O)CCNC1=NC=C(Cl)C=C1

IUPAC: 3-[(5-chloropyridin-2-yl)amino]propanoic acid

InChI: InChI=1S/C8H9ClN2O2/c9-6-1-2-7(11-5-6)10-4-3-8(12)13/h1-2,5H,3-4H2,(H,10,11)(H,12,13)

Composition: C (47.90%), H (4.52%), Cl (17.67%), N (13.96%), O (15.95%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0352552
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NRPAHEVMQSRBRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50
Topological Polar Surface Area	62.22
Polarizability	18.58
Ring Count	1
Rotatable Bond Count	4

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