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methyl 2,6-dibromopyridine-4-carboxylate

methyl 2,6-dibromopyridine-4-carboxylate

CAS: 119308-57-5

Formula: C7H5Br2NO2

SMILES: COC(=O)C1=CC(Br)=NC(Br)=C1

IUPAC: methyl 2,6-dibromopyridine-4-carboxylate

InChI: InChI=1S/C7H5Br2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3

Composition: C (28.51%), H (1.71%), Br (54.19%), N (4.75%), O (10.85%)

Molar Mass: 294.93

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.868704
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XGHFPTMUVIDZNF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.86
Topological Polar Surface Area 39.19
Polarizability 20.07
Ring Count 1
Rotatable Bond Count 2

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