2-chloro-6-(pentan-2-yloxymethyl)pyridine

C11H16ClNO — CID 102981475

IUPAC2-chloro-6-(pentan-2-yloxymethyl)pyridine
SMILESCCCC(C)OCc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO/c1-3-5-9(2)14-8-10-6-4-7-11(12)13-10/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyGILHNVVLRWMRKF-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-6-(pentan-2-yloxymethyl)pyridine

2-chloro-6-(pentan-2-yloxymethyl)pyridine (PubChem CID 102981475) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-6-(pentan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(pentan-2-yloxymethyl)pyridine
PubChem CID102981475
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-6-(pentan-2-yloxymethyl)pyridine
SMILESCCCC(C)OCc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO/c1-3-5-9(2)14-8-10-6-4-7-11(12)13-10/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyGILHNVVLRWMRKF-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pentan-2-yloxymethyl)pyridine?
The IUPAC name of 2-chloro-6-(pentan-2-yloxymethyl)pyridine (CID 102981475) is 2-chloro-6-(pentan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(pentan-2-yloxymethyl)pyridine?
The canonical SMILES for 2-chloro-6-(pentan-2-yloxymethyl)pyridine is CCCC(C)OCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(pentan-2-yloxymethyl)pyridine?
The InChIKey is GILHNVVLRWMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-5-9(2)14-8-10-6-4-7-11(12)13-10/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 2-chloro-6-(pentan-2-yloxymethyl)pyridine?
2-chloro-6-(pentan-2-yloxymethyl)pyridine has a molecular weight of 213.71 g/mol, XLogP of 3.44, 5 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-yloxymethyl)pyridine is sourced from PubChem (CID 102981475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).