2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine

C12H6Cl4N2O3 — CID 106994564

IUPAC2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4N2O3/c13-8-3-7(18(19)20)4-9(14)11(8)21-5-6-1-2-10(15)17-12(6)16/h1-4H,5H2
InChIKeyFCEKGGGOULLLBC-UHFFFAOYSA-N
MW368.00 g/mol
LogP5.18
Rot. Bonds4

About 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine

2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine (PubChem CID 106994564) has the molecular formula C12H6Cl4N2O3 and a molecular weight of 368.00 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
PubChem CID106994564
Molecular FormulaC12H6Cl4N2O3
Molecular Weight368.00 g/mol
Exact Mass365.91
IUPAC Name2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl4N2O3/c13-8-3-7(18(19)20)4-9(14)11(8)21-5-6-1-2-10(15)17-12(6)16/h1-4H,5H2
InChIKeyFCEKGGGOULLLBC-UHFFFAOYSA-N
XLogP5.18
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.00
LogP ≤ 55.18
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

3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
CID 18504688
2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 79242700
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
1,3-dichloro-5-nitro-2-(2-phenylsulfanylethoxy)benzene
CID 79406085
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
CID 62887008

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine (CID 106994564) is 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is FCEKGGGOULLLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N2O3/c13-8-3-7(18(19)20)4-9(14)11(8)21-5-6-1-2-10(15)17-12(6)16/h1-4H,5H2.
What are the key properties of 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine has a molecular weight of 368.00 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 106994564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).