4-amino-2-chloropyridine-3-carboxylic acid

4-amino-2-chloropyridine-3-carboxylic acid

CAS: 1018678-38-0

Formula: C6H5ClN2O2

SMILES: NC1=C(C(O)=O)C(Cl)=NC=C1

IUPAC: 4-amino-2-chloropyridine-3-carboxylic acid

InChI: InChI=1S/C6H5ClN2O2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H2,8,9)(H,10,11)

Composition: C (41.76%), H (2.92%), Cl (20.54%), N (16.23%), O (18.54%)

Molar Mass: 172.57

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.0039551
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KSWQBRYDZAEYQP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.72
Topological Polar Surface Area	76.21
Polarizability	14.99
Ring Count	1
Rotatable Bond Count	1

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