4-[(3-nitropyridin-2-yl)amino]butanoic acid

4-[(3-nitropyridin-2-yl)amino]butanoic acid

Formula: C9H11N3O4

SMILES: OC(=O)CCCNC1=C(C=CC=N1)[N+]([O-])=O

IUPAC: 4-[(3-nitropyridin-2-yl)amino]butanoic acid

InChI: InChI=1S/C9H11N3O4/c13-8(14)4-2-6-11-9-7(12(15)16)3-1-5-10-9/h1,3,5H,2,4,6H2,(H,10,11)(H,13,14)

Composition: C (48.00%), H (4.92%), N (18.66%), O (28.42%)

Molar Mass: 225.204

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.074955846
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	WTHQDFIWIPIGLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.27
Topological Polar Surface Area	105.36
Polarizability	20.48
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H11N3O4		Quote Only