3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine

C12H9BrN2O3 — CID 106877947

IUPAC3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
SMILESCc1ccnc(Oc2cccc([N+](=O)[O-])c2)c1Br
InChIInChI=1S/C12H9BrN2O3/c1-8-5-6-14-12(11(8)13)18-10-4-2-3-9(7-10)15(16)17/h2-7H,1H3
InChIKeyLSJLOHRURJYVKO-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine

3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine (PubChem CID 106877947) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
PubChem CID106877947
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
SMILESCc1ccnc(Oc2cccc([N+](=O)[O-])c2)c1Br
InChIInChI=1S/C12H9BrN2O3/c1-8-5-6-14-12(11(8)13)18-10-4-2-3-9(7-10)15(16)17/h2-7H,1H3
InChIKeyLSJLOHRURJYVKO-UHFFFAOYSA-N
XLogP3.85
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.85
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-4-(3-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676310
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
CID 64624692

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine (CID 106877947) is 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine is Cc1ccnc(Oc2cccc([N+](=O)[O-])c2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine?
The InChIKey is LSJLOHRURJYVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-8-5-6-14-12(11(8)13)18-10-4-2-3-9(7-10)15(16)17/h2-7H,1H3.
What are the key properties of 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine?
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine has a molecular weight of 309.12 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine is sourced from PubChem (CID 106877947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).