2-chloro-6-pentan-2-yloxypyridine

C10H14ClNO — CID 102981572

IUPAC2-chloro-6-pentan-2-yloxypyridine
SMILESCCCC(C)Oc1cccc(Cl)n1
InChIInChI=1S/C10H14ClNO/c1-3-5-8(2)13-10-7-4-6-9(11)12-10/h4,6-8H,3,5H2,1-2H3
InChIKeyQXUVBNRVILUFFP-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-6-pentan-2-yloxypyridine

2-chloro-6-pentan-2-yloxypyridine (PubChem CID 102981572) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-6-pentan-2-yloxypyridine.

Molecular Properties

Compound Name2-chloro-6-pentan-2-yloxypyridine
PubChem CID102981572
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-6-pentan-2-yloxypyridine
SMILESCCCC(C)Oc1cccc(Cl)n1
InChIInChI=1S/C10H14ClNO/c1-3-5-8(2)13-10-7-4-6-9(11)12-10/h4,6-8H,3,5H2,1-2H3
InChIKeyQXUVBNRVILUFFP-UHFFFAOYSA-N
XLogP3.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-pentan-2-yloxypyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pentan-2-yloxypyridine?
The IUPAC name of 2-chloro-6-pentan-2-yloxypyridine (CID 102981572) is 2-chloro-6-pentan-2-yloxypyridine.
What is the SMILES notation for 2-chloro-6-pentan-2-yloxypyridine?
The canonical SMILES for 2-chloro-6-pentan-2-yloxypyridine is CCCC(C)Oc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-pentan-2-yloxypyridine?
The InChIKey is QXUVBNRVILUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-5-8(2)13-10-7-4-6-9(11)12-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-chloro-6-pentan-2-yloxypyridine?
2-chloro-6-pentan-2-yloxypyridine has a molecular weight of 199.68 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pentan-2-yloxypyridine is sourced from PubChem (CID 102981572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).