5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine

C12H8Br2N2O3 — CID 82831572

IUPAC5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H8Br2N2O3/c13-9-3-1-8(2-4-9)7-19-12-11(16(17)18)5-10(14)6-15-12/h1-6H,7H2
InChIKeyPQOWDYCBCUVVEG-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.09
Rot. Bonds4

About 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine

5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine (PubChem CID 82831572) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
PubChem CID82831572
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H8Br2N2O3/c13-9-3-1-8(2-4-9)7-19-12-11(16(17)18)5-10(14)6-15-12/h1-6H,7H2
InChIKeyPQOWDYCBCUVVEG-UHFFFAOYSA-N
XLogP4.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-3-nitro-2-pent-4-enoxypyridine
CID 79114231
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
CID 54966722
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2,2-difluoropropan-1-ol
CID 146211557
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
[3-[(4-bromophenyl)methoxy]-4-nitrophenyl]methanol
CID 62115919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine?
The IUPAC name of 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine (CID 82831572) is 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine?
The canonical SMILES for 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1OCc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine?
The InChIKey is PQOWDYCBCUVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c13-9-3-1-8(2-4-9)7-19-12-11(16(17)18)5-10(14)6-15-12/h1-6H,7H2.
What are the key properties of 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine?
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine has a molecular weight of 388.02 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine is sourced from PubChem (CID 82831572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).