methyl 6-chloro-5-fluoropyridine-3-carboxylate

methyl 6-chloro-5-fluoropyridine-3-carboxylate

CAS: 78686-78-9

Formula: C7H5ClFNO2

SMILES: COC(=O)C1=CC(F)=C(Cl)N=C1

IUPAC: methyl 6-chloro-5-fluoropyridine-3-carboxylate

InChI: InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3

Composition: C (44.35%), H (2.66%), Cl (18.70%), F (10.02%), N (7.39%), O (16.88%)

Molar Mass: 189.57

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.9992843
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KDMTVIVGDHCOAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.01
Topological Polar Surface Area	39.19
Polarizability	15.7
Ring Count	1
Rotatable Bond Count	2

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