methyl 4-methyl-5-nitropyridine-2-carboxylate

methyl 4-methyl-5-nitropyridine-2-carboxylate

CAS: 868551-30-8

Formula: C8H8N2O4

SMILES: COC(=O)C1=NC=C(C(C)=C1)[N+]([O-])=O

IUPAC: methyl 4-methyl-5-nitropyridine-2-carboxylate

InChI: InChI=1S/C8H8N2O4/c1-5-3-6(8(11)14-2)9-4-7(5)10(12)13/h3-4H,1-2H3

Composition: C (48.98%), H (4.11%), N (14.28%), O (32.62%)

Molar Mass: 196.162

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.048406746
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JOCVMGPJNBRFGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.92
Topological Polar Surface Area	82.33
Polarizability	17.63
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	868551-30-8		$133.67$133.67