2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine

C15H20ClNO3 — CID 79893859

IUPAC2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine
SMILESClCc1ccc(OC2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C15H20ClNO3/c16-10-12-1-2-14(11-17-12)20-13-3-6-19-15(9-13)4-7-18-8-5-15/h1-2,11,13H,3-10H2
InChIKeyGUZZGWFBYDVCRW-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.93
Rot. Bonds3

About 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine

2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine (PubChem CID 79893859) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine
PubChem CID79893859
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine
SMILESClCc1ccc(OC2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C15H20ClNO3/c16-10-12-1-2-14(11-17-12)20-13-3-6-19-15(9-13)4-7-18-8-5-15/h1-2,11,13H,3-10H2
InChIKeyGUZZGWFBYDVCRW-UHFFFAOYSA-N
XLogP2.93
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
CID 79894085
1-[5-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-pyridinyl]propan-2-amine
CID 79908461
2-[5-(1-oxaspiro[5.5]undecan-4-yloxy)-2-pyridinyl]ethanamine
CID 79908457
N-[[5-(5-oxaspiro[3.5]nonan-8-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79901007
2-(chloromethyl)-5-cyclopropyloxypyridine
CID 130562964
2-(chloromethyl)-5-cycloheptyloxypyridine
CID 82929271
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole
CID 116805130
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
3-bromo-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 103588032

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine?
The IUPAC name of 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine (CID 79893859) is 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine is ClCc1ccc(OC2CCOC3(CCOCC3)C2)cn1.
What is the InChIKey of 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine?
The InChIKey is GUZZGWFBYDVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-10-12-1-2-14(11-17-12)20-13-3-6-19-15(9-13)4-7-18-8-5-15/h1-2,11,13H,3-10H2.
What are the key properties of 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine?
2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine has a molecular weight of 297.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine is sourced from PubChem (CID 79893859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).