methyl 2,3-dichloropyridine-4-carboxylate

methyl 2,3-dichloropyridine-4-carboxylate

CAS: 603124-78-3

Formula: C7H5Cl2NO2

SMILES: COC(=O)C1=CC=NC(Cl)=C1Cl

IUPAC: methyl 2,3-dichloropyridine-4-carboxylate

InChI: InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-3-10-6(9)5(4)8/h2-3H,1H3

Composition: C (40.81%), H (2.45%), Cl (34.41%), N (6.80%), O (15.53%)

Molar Mass: 206.02

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.9697338
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PFAVUXBECIRJIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.6
Topological Polar Surface Area	39.19
Polarizability	17.88
Ring Count	1
Rotatable Bond Count	2

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