2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine

C12H8BrClN2O3 — CID 82823985

IUPAC2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCc1cccc(Br)c1
InChIInChI=1S/C12H8BrClN2O3/c13-9-3-1-2-8(6-9)7-19-12-10(16(17)18)4-5-11(14)15-12/h1-6H,7H2
InChIKeyQKBMYUNBQZURLH-UHFFFAOYSA-N
MW343.56 g/mol
LogP3.98
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine

2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine (PubChem CID 82823985) has the molecular formula C12H8BrClN2O3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
PubChem CID82823985
Molecular FormulaC12H8BrClN2O3
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCc1cccc(Br)c1
InChIInChI=1S/C12H8BrClN2O3/c13-9-3-1-2-8(6-9)7-19-12-10(16(17)18)4-5-11(14)15-12/h1-6H,7H2
InChIKeyQKBMYUNBQZURLH-UHFFFAOYSA-N
XLogP3.98
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
3-[(3-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 60711490
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
CID 82824481
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
4-[(4-bromo-2-nitrophenoxy)methyl]-2-chloropyridine
CID 65429777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine (CID 82823985) is 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine?
The InChIKey is QKBMYUNBQZURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3/c13-9-3-1-2-8(6-9)7-19-12-10(16(17)18)4-5-11(14)15-12/h1-6H,7H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine?
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine has a molecular weight of 343.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine is sourced from PubChem (CID 82823985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).