2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine

C15H15Cl2NO2 — CID 116519425

IUPAC2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
SMILESCOCCc1ccc(OCc2cnc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-19-7-6-11-2-4-13(5-3-11)20-10-12-9-18-15(17)8-14(12)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyRXELXPPJRHWYLX-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.16
Rot. Bonds6

About 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine

2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine (PubChem CID 116519425) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
PubChem CID116519425
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
SMILESCOCCc1ccc(OCc2cnc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-19-7-6-11-2-4-13(5-3-11)20-10-12-9-18-15(17)8-14(12)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyRXELXPPJRHWYLX-UHFFFAOYSA-N
XLogP4.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridin-2-amine
CID 62194855
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
3-bromo-4-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 60790726
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
1-(2-methoxyethyl)-4-[(3-propan-2-ylphenyl)methoxy]benzene
CID 168937708
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 115980186

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine (CID 116519425) is 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine is COCCc1ccc(OCc2cnc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
The InChIKey is RXELXPPJRHWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-7-6-11-2-4-13(5-3-11)20-10-12-9-18-15(17)8-14(12)16/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine?
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine has a molecular weight of 312.20 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 116519425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).