2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine

C12H8BrClN2O3 — CID 114046469

IUPAC2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
SMILESCc1ccc(Br)cc1Oc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c1-7-2-3-8(13)4-11(7)19-12-10(14)5-9(6-15-12)16(17)18/h2-6H,1H3
InChIKeyXWZNEIYMPCYDOJ-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.51
Rot. Bonds3

About 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine

2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine (PubChem CID 114046469) has the molecular formula C12H8BrClN2O3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
PubChem CID114046469
Molecular FormulaC12H8BrClN2O3
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
SMILESCc1ccc(Br)cc1Oc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c1-7-2-3-8(13)4-11(7)19-12-10(14)5-9(6-15-12)16(17)18/h2-6H,1H3
InChIKeyXWZNEIYMPCYDOJ-UHFFFAOYSA-N
XLogP4.51
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.51
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

3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
CID 107284554
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 61030930

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine (CID 114046469) is 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine is Cc1ccc(Br)cc1Oc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine?
The InChIKey is XWZNEIYMPCYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3/c1-7-2-3-8(13)4-11(7)19-12-10(14)5-9(6-15-12)16(17)18/h2-6H,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine?
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine has a molecular weight of 343.56 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine is sourced from PubChem (CID 114046469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).