2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine

C12H7Cl3N2O3 — CID 12569053

IUPAC2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
SMILESCc1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C12H7Cl3N2O3/c1-6-2-3-10(12(15)16-6)20-11-5-8(14)7(13)4-9(11)17(18)19/h2-5H,1H3
InChIKeyMZINRSBPCQHTOA-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.05
Rot. Bonds3

About 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine

2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine (PubChem CID 12569053) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
PubChem CID12569053
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
SMILESCc1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C12H7Cl3N2O3/c1-6-2-3-10(12(15)16-6)20-11-5-8(14)7(13)4-9(11)17(18)19/h2-5H,1H3
InChIKeyMZINRSBPCQHTOA-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

1,2-dichloro-4-[4-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 107500402
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
2,5-dichloro-3-[(2-chloro-6-methyl-3-pyridinyl)oxy]-6-methylbenzenethiol
CID 88720990
1-[4-(bromomethyl)-2-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500407
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
2-bromo-5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724167
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)benzonitrile
CID 107499723
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine?
The IUPAC name of 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine (CID 12569053) is 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine.
What is the SMILES notation for 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine?
The canonical SMILES for 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine is Cc1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine?
The InChIKey is MZINRSBPCQHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c1-6-2-3-10(12(15)16-6)20-11-5-8(14)7(13)4-9(11)17(18)19/h2-5H,1H3.
What are the key properties of 2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine?
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine 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-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine is sourced from PubChem (CID 12569053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).