5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine

C13H10BrClN2O3 — CID 61374175

IUPAC5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
SMILESCc1cc(Oc2ncc(Br)cc2[N+](=O)[O-])cc(C)c1Cl
InChIInChI=1S/C13H10BrClN2O3/c1-7-3-10(4-8(2)12(7)15)20-13-11(17(18)19)5-9(14)6-16-13/h3-6H,1-2H3
InChIKeyXDZPCHSOCZHHFG-UHFFFAOYSA-N
MW357.59 g/mol
LogP4.81
Rot. Bonds3

About 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine

5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine (PubChem CID 61374175) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
PubChem CID61374175
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC Name5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
SMILESCc1cc(Oc2ncc(Br)cc2[N+](=O)[O-])cc(C)c1Cl
InChIInChI=1S/C13H10BrClN2O3/c1-7-3-10(4-8(2)12(7)15)20-13-11(17(18)19)5-9(14)6-16-13/h3-6H,1-2H3
InChIKeyXDZPCHSOCZHHFG-UHFFFAOYSA-N
XLogP4.81
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 54.81
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-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine (CID 61374175) is 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine is Cc1cc(Oc2ncc(Br)cc2[N+](=O)[O-])cc(C)c1Cl.
What is the InChIKey of 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine?
The InChIKey is XDZPCHSOCZHHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c1-7-3-10(4-8(2)12(7)15)20-13-11(17(18)19)5-9(14)6-16-13/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine?
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine has a molecular weight of 357.59 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine is sourced from PubChem (CID 61374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).