2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine

C13H10Cl2N2O4 — CID 106994414

IUPAC2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
SMILESCOc1ccc([N+](=O)[O-])cc1OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2N2O4/c1-20-10-4-3-9(17(18)19)6-11(10)21-7-8-2-5-12(14)16-13(8)15/h2-6H,7H2,1H3
InChIKeyJCXSYSHHXYIMMW-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.88
Rot. Bonds5

About 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine

2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine (PubChem CID 106994414) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
PubChem CID106994414
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
SMILESCOc1ccc([N+](=O)[O-])cc1OCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2N2O4/c1-20-10-4-3-9(17(18)19)6-11(10)21-7-8-2-5-12(14)16-13(8)15/h2-6H,7H2,1H3
InChIKeyJCXSYSHHXYIMMW-UHFFFAOYSA-N
XLogP3.88
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 106994564
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3,4-thiadiazole
CID 80607055
5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
CID 60619402
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765252
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 79234208
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine (CID 106994414) is 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine is COc1ccc([N+](=O)[O-])cc1OCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine?
The InChIKey is JCXSYSHHXYIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-20-10-4-3-9(17(18)19)6-11(10)21-7-8-2-5-12(14)16-13(8)15/h2-6H,7H2,1H3.
What are the key properties of 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine?
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine has a molecular weight of 329.14 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 106994414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).