3-amino-5-chloropyrazine-2-carboxylic acid

3-amino-5-chloropyrazine-2-carboxylic acid

CAS: 1260663-68-0

Formula: C5H4ClN3O2

SMILES: NC1=NC(Cl)=CN=C1C(O)=O

IUPAC: 3-amino-5-chloropyrazine-2-carboxylic acid

InChI: InChI=1S/C5H4ClN3O2/c6-2-1-8-3(5(10)11)4(7)9-2/h1H,(H2,7,9)(H,10,11)

Composition: C (34.60%), H (2.32%), Cl (20.43%), N (24.21%), O (18.44%)

Molar Mass: 173.56

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.9992041
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QSLXZTVOEMVHSL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.51
Topological Polar Surface Area	89.1
Polarizability	14.2
Ring Count	1
Rotatable Bond Count	1

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