3-chloro-2-(oxan-4-yloxy)pyridine

C10H12ClNO2 — CID 58042360

IUPAC3-chloro-2-(oxan-4-yloxy)pyridine
SMILESClc1cccnc1OC1CCOCC1
InChIInChI=1S/C10H12ClNO2/c11-9-2-1-5-12-10(9)14-8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyYHMIHIRRCHTDQS-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.29
Rot. Bonds2

About 3-chloro-2-(oxan-4-yloxy)pyridine

3-chloro-2-(oxan-4-yloxy)pyridine (PubChem CID 58042360) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-chloro-2-(oxan-4-yloxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(oxan-4-yloxy)pyridine
PubChem CID58042360
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-chloro-2-(oxan-4-yloxy)pyridine
SMILESClc1cccnc1OC1CCOCC1
InChIInChI=1S/C10H12ClNO2/c11-9-2-1-5-12-10(9)14-8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyYHMIHIRRCHTDQS-UHFFFAOYSA-N
XLogP2.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxan-4-yloxy)pyridine?
The IUPAC name of 3-chloro-2-(oxan-4-yloxy)pyridine (CID 58042360) is 3-chloro-2-(oxan-4-yloxy)pyridine.
What is the SMILES notation for 3-chloro-2-(oxan-4-yloxy)pyridine?
The canonical SMILES for 3-chloro-2-(oxan-4-yloxy)pyridine is Clc1cccnc1OC1CCOCC1.
What is the InChIKey of 3-chloro-2-(oxan-4-yloxy)pyridine?
The InChIKey is YHMIHIRRCHTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-2-1-5-12-10(9)14-8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-chloro-2-(oxan-4-yloxy)pyridine?
3-chloro-2-(oxan-4-yloxy)pyridine has a molecular weight of 213.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxan-4-yloxy)pyridine is sourced from PubChem (CID 58042360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).