2-chloro-6-cyclobutyloxypyridine

C9H10ClNO — CID 63587446

IUPAC2-chloro-6-cyclobutyloxypyridine
SMILESClc1cccc(OC2CCC2)n1
InChIInChI=1S/C9H10ClNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyAVAWGCJARZESGD-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.67
Rot. Bonds2

About 2-chloro-6-cyclobutyloxypyridine

2-chloro-6-cyclobutyloxypyridine (PubChem CID 63587446) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-6-cyclobutyloxypyridine.

Molecular Properties

Compound Name2-chloro-6-cyclobutyloxypyridine
PubChem CID63587446
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-6-cyclobutyloxypyridine
SMILESClc1cccc(OC2CCC2)n1
InChIInChI=1S/C9H10ClNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyAVAWGCJARZESGD-UHFFFAOYSA-N
XLogP2.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.67
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-cyclobutyloxypyridine?
The IUPAC name of 2-chloro-6-cyclobutyloxypyridine (CID 63587446) is 2-chloro-6-cyclobutyloxypyridine.
What is the SMILES notation for 2-chloro-6-cyclobutyloxypyridine?
The canonical SMILES for 2-chloro-6-cyclobutyloxypyridine is Clc1cccc(OC2CCC2)n1.
What is the InChIKey of 2-chloro-6-cyclobutyloxypyridine?
The InChIKey is AVAWGCJARZESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2.
What are the key properties of 2-chloro-6-cyclobutyloxypyridine?
2-chloro-6-cyclobutyloxypyridine has a molecular weight of 183.64 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclobutyloxypyridine is sourced from PubChem (CID 63587446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).