2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine

C12H7Cl3N2O3 — CID 102749610

IUPAC2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H7Cl3N2O3/c1-6-2-3-9(17(18)19)10(4-6)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3
InChIKeyBUBCZRDRFFNJAQ-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.05
Rot. Bonds3

About 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine

2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine (PubChem CID 102749610) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
PubChem CID102749610
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H7Cl3N2O3/c1-6-2-3-9(17(18)19)10(4-6)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3
InChIKeyBUBCZRDRFFNJAQ-UHFFFAOYSA-N
XLogP5.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.05
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-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
3-nitro-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749640
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
1-[3-chloro-4-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151382
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine (CID 102749610) is 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])c(Oc2nc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine?
The InChIKey is BUBCZRDRFFNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c1-6-2-3-9(17(18)19)10(4-6)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3.
What are the key properties of 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine?
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine has a molecular weight of 333.56 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine is sourced from PubChem (CID 102749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).