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

C12H7Cl3N2O3 — CID 79242700

IUPAC2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(OCc2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O3/c13-9-4-8(17(18)19)5-10(14)12(9)20-6-7-2-1-3-11(15)16-7/h1-5H,6H2
InChIKeyACWCKBYNXONVTA-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.53
Rot. Bonds4

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

2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine (PubChem CID 79242700) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
PubChem CID79242700
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c(OCc2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O3/c13-9-4-8(17(18)19)5-10(14)12(9)20-6-7-2-1-3-11(15)16-7/h1-5H,6H2
InChIKeyACWCKBYNXONVTA-UHFFFAOYSA-N
XLogP4.53
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.53
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

2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 106994564
2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
CID 154663357
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
CID 79243325
6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79233930
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
1-chloro-3-nitronaphthalene
CID 13462997
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
1,3-dichloro-5-nitro-2-(2-phenylsulfanylethoxy)benzene
CID 79406085
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine (CID 79242700) is 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1cc(Cl)c(OCc2cccc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is ACWCKBYNXONVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c13-9-4-8(17(18)19)5-10(14)12(9)20-6-7-2-1-3-11(15)16-7/h1-5H,6H2.
What are the key properties of 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine?
2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine has a molecular weight of 333.56 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 79242700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).