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

C12H9BrN2O4 — CID 103201647

IUPAC3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
SMILESCOc1ccc(Oc2cncc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrN2O4/c1-18-12-3-2-9(5-11(12)15(16)17)19-10-4-8(13)6-14-7-10/h2-7H,1H3
InChIKeyPMHXGNISRLBMTQ-UHFFFAOYSA-N
MW325.12 g/mol
LogP3.55
Rot. Bonds4

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

3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine (PubChem CID 103201647) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
PubChem CID103201647
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
SMILESCOc1ccc(Oc2cncc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrN2O4/c1-18-12-3-2-9(5-11(12)15(16)17)19-10-4-8(13)6-14-7-10/h2-7H,1H3
InChIKeyPMHXGNISRLBMTQ-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(4-methoxy-3-nitrophenoxy)benzonitrile
CID 103201676
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
3-[(5-bromo-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781366
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine (CID 103201647) is 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine is COc1ccc(Oc2cncc(Br)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine?
The InChIKey is PMHXGNISRLBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c1-18-12-3-2-9(5-11(12)15(16)17)19-10-4-8(13)6-14-7-10/h2-7H,1H3.
What are the key properties of 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine?
3-bromo-5-(4-methoxy-3-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 3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine is sourced from PubChem (CID 103201647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).