2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine

C12H9BrN2O4 — CID 63961925

IUPAC2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cccc(Br)n1
InChIInChI=1S/C12H9BrN2O4/c1-18-10-7-8(15(16)17)5-6-9(10)19-12-4-2-3-11(13)14-12/h2-7H,1H3
InChIKeyLANMQIVDCNNPTG-UHFFFAOYSA-N
MW325.12 g/mol
LogP3.55
Rot. Bonds4

About 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine

2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine (PubChem CID 63961925) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
PubChem CID63961925
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cccc(Br)n1
InChIInChI=1S/C12H9BrN2O4/c1-18-10-7-8(15(16)17)5-6-9(10)19-12-4-2-3-11(13)14-12/h2-7H,1H3
InChIKeyLANMQIVDCNNPTG-UHFFFAOYSA-N
XLogP3.55
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
2-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-6-methoxypyridine
CID 63985703
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine?
The IUPAC name of 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine (CID 63961925) is 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine is COc1cc([N+](=O)[O-])ccc1Oc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine?
The InChIKey is LANMQIVDCNNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c1-18-10-7-8(15(16)17)5-6-9(10)19-12-4-2-3-11(13)14-12/h2-7H,1H3.
What are the key properties of 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine?
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine has a molecular weight of 325.12 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine is sourced from PubChem (CID 63961925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).