5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine

C12H8BrClN2O4 — CID 103583671

IUPAC5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
SMILESCOc1ccc(Oc2ncc(Br)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8BrClN2O4/c1-19-8-2-3-11(10(5-8)16(17)18)20-12-9(14)4-7(13)6-15-12/h2-6H,1H3
InChIKeyQJPPXJZXBLORFR-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine

5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine (PubChem CID 103583671) has the molecular formula C12H8BrClN2O4 and a molecular weight of 359.56 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
PubChem CID103583671
Molecular FormulaC12H8BrClN2O4
Molecular Weight359.56 g/mol
Exact Mass357.94
IUPAC Name5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
SMILESCOc1ccc(Oc2ncc(Br)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8BrClN2O4/c1-19-8-2-3-11(10(5-8)16(17)18)20-12-9(14)4-7(13)6-15-12/h2-6H,1H3
InChIKeyQJPPXJZXBLORFR-UHFFFAOYSA-N
XLogP4.21
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
5-bromo-4-(4-methoxy-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676323
3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine (CID 103583671) is 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine is COc1ccc(Oc2ncc(Br)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine?
The InChIKey is QJPPXJZXBLORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4/c1-19-8-2-3-11(10(5-8)16(17)18)20-12-9(14)4-7(13)6-15-12/h2-6H,1H3.
What are the key properties of 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine?
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine has a molecular weight of 359.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine is sourced from PubChem (CID 103583671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).