methyl 4,5-diaminopyridine-2-carboxylate

methyl 4,5-diaminopyridine-2-carboxylate

CAS: 850689-13-3

Formula: C7H9N3O2

SMILES: COC(=O)C1=CC(N)=C(N)C=N1

IUPAC: methyl 4,5-diaminopyridine-2-carboxylate

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

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	PLICIZFHDSQJEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.96
Topological Polar Surface Area	91.23
Polarizability	16.19
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	850689-13-3		$54.86-$672.75$54.86$91.08$205.97$672.75

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