2,6-diethyl 4-chloropyridine-2,6-dicarboxylate

2,6-diethyl 4-chloropyridine-2,6-dicarboxylate

CAS: 53389-01-8

Formula: C11H12ClNO4

SMILES: CCOC(=O)C1=CC(Cl)=CC(=N1)C(=O)OCC

IUPAC: 2,6-diethyl 4-chloropyridine-2,6-dicarboxylate

InChI: InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3

Composition: C (51.28%), H (4.69%), Cl (13.76%), N (5.44%), O (24.84%)

Molar Mass: 257.67

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.0454856
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XQVRVZXJZVVBLW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.51
Topological Polar Surface Area	65.49
Polarizability	23.97
Ring Count	1
Rotatable Bond Count	6

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