2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine

C10H11Cl2NO2 — CID 116519481

IUPAC2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
SMILESClc1cc(Cl)c(COC2CCOC2)cn1
InChIInChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2
InChIKeyRXSZDEIQKSTHSY-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.69
Rot. Bonds3

About 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine

2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine (PubChem CID 116519481) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
PubChem CID116519481
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
SMILESClc1cc(Cl)c(COC2CCOC2)cn1
InChIInChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2
InChIKeyRXSZDEIQKSTHSY-UHFFFAOYSA-N
XLogP2.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.69
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-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 116519370
4-chloro-5-[[(3S)-oxolan-3-yl]oxymethyl]-2-propan-2-ylpyrimidine
CID 177012443
4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
CID 177012346
5-chloro-2-(oxolan-3-yloxymethyl)aniline
CID 63557218
3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 55219086
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
CID 102607207
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
3-fluoro-4-(oxolan-3-yloxymethyl)benzonitrile
CID 63556454
5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine
CID 87630915

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The IUPAC name of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine (CID 116519481) is 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine.
What is the SMILES notation for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The canonical SMILES for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine is Clc1cc(Cl)c(COC2CCOC2)cn1.
What is the InChIKey of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
The InChIKey is RXSZDEIQKSTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-9-3-10(12)13-4-7(9)5-15-8-1-2-14-6-8/h3-4,8H,1-2,5-6H2.
What are the key properties of 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine?
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine has a molecular weight of 248.11 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine is sourced from PubChem (CID 116519481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).