3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine

C11H13Cl2NO2 — CID 62885453

IUPAC3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
SMILESClc1ccc(Cl)c(COCC2CCOC2)n1
InChIInChI=1S/C11H13Cl2NO2/c12-9-1-2-11(13)14-10(9)7-16-6-8-3-4-15-5-8/h1-2,8H,3-7H2
InChIKeyNGOUPMNGLLRDGO-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.94
Rot. Bonds4

About 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine

3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine (PubChem CID 62885453) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
PubChem CID62885453
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
SMILESClc1ccc(Cl)c(COCC2CCOC2)n1
InChIInChI=1S/C11H13Cl2NO2/c12-9-1-2-11(13)14-10(9)7-16-6-8-3-4-15-5-8/h1-2,8H,3-7H2
InChIKeyNGOUPMNGLLRDGO-UHFFFAOYSA-N
XLogP2.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.94
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

3,6-dichloro-2-(oxan-4-ylmethoxymethyl)pyridine
CID 62885970
5-chloro-N-methyl-6-(oxolan-3-ylmethoxymethyl)pyridin-2-amine
CID 62884966
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole
CID 80607681
N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62321214
6-methyl-2-(oxolan-3-ylmethoxymethyl)pyrimidin-4-amine
CID 80655013
6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958396
[5-chloro-6-(cyclopentylmethoxymethyl)-2-pyridinyl]hydrazine
CID 66322056
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine
CID 103054848
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine?
The IUPAC name of 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine (CID 62885453) is 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine.
What is the SMILES notation for 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine?
The canonical SMILES for 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine is Clc1ccc(Cl)c(COCC2CCOC2)n1.
What is the InChIKey of 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine?
The InChIKey is NGOUPMNGLLRDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-9-1-2-11(13)14-10(9)7-16-6-8-3-4-15-5-8/h1-2,8H,3-7H2.
What are the key properties of 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine?
3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine has a molecular weight of 262.14 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine is sourced from PubChem (CID 62885453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).