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methyl 5,6-diaminopyridine-2-carboxylate

methyl 5,6-diaminopyridine-2-carboxylate

CAS: 538372-33-7

Formula: C7H9N3O2

SMILES: COC(=O)C1=NC(N)=C(N)C=C1

IUPAC: methyl 5,6-diaminopyridine-2-carboxylate

InChI: InChI=1S/C7H9N3O2/c1-12-7(11)5-3-2-4(8)6(9)10-5/h2-3H,8H2,1H3,(H2,9,10)

Composition: C (50.29%), H (5.43%), N (25.14%), O (19.14%)

Molar Mass: 167.168

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.069476542
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YTBZFBYYFHHMHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.27
Topological Polar Surface Area 91.23
Polarizability 16.19
Ring Count 1
Rotatable Bond Count 2

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95% <2 Days 538372-33-7 $51.35-$823.75$51.35$63.37$86.31$524.40$823.75
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