ethyl 3-acetyl-5-chloropyridine-2-carboxylate

ethyl 3-acetyl-5-chloropyridine-2-carboxylate

CAS: 1221791-87-2

Formula: C10H10ClNO3

SMILES: CCOC(=O)C1=NC=C(Cl)C=C1C(C)=O

IUPAC: ethyl 3-acetyl-5-chloropyridine-2-carboxylate

InChI: InChI=1S/C10H10ClNO3/c1-3-15-10(14)9-8(6(2)13)4-7(11)5-12-9/h4-5H,3H2,1-2H3

Composition: C (52.76%), H (4.43%), Cl (15.57%), N (6.15%), O (21.08%)

Molar Mass: 227.64

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.0349209
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FRNOROCGPZNZEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.51
Topological Polar Surface Area	56.26
Polarizability	21.42
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	1221791-87-2		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31