3-bromo-4-methoxy-5-nitropyridine

3-bromo-4-methoxy-5-nitropyridine

CAS: 31872-76-1

Formula: C6H5BrN2O3

SMILES: COC1=C(Br)C=NC=C1[N+]([O-])=O

IUPAC: 3-bromo-4-methoxy-5-nitropyridine

InChI: InChI=1S/C6H5BrN2O3/c1-12-6-4(7)2-8-3-5(6)9(10)11/h2-3H,1H3

Composition: C (30.93%), H (2.16%), Br (34.29%), N (12.02%), O (20.60%)

Molar Mass: 233.021

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.948355
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UIQZXGXNJIZTOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.31
Topological Polar Surface Area	65.26
Polarizability	17
Ring Count	1
Rotatable Bond Count	2

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