5-chloro-2-(2-methylcyclohexyl)oxypyridine

C12H16ClNO — CID 66235023

IUPAC5-chloro-2-(2-methylcyclohexyl)oxypyridine
SMILESCC1CCCCC1Oc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClNO/c1-9-4-2-3-5-11(9)15-12-7-6-10(13)8-14-12/h6-9,11H,2-5H2,1H3
InChIKeyYDDRKTSQLUTSOS-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.69
Rot. Bonds2

About 5-chloro-2-(2-methylcyclohexyl)oxypyridine

5-chloro-2-(2-methylcyclohexyl)oxypyridine (PubChem CID 66235023) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-2-(2-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name5-chloro-2-(2-methylcyclohexyl)oxypyridine
PubChem CID66235023
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-chloro-2-(2-methylcyclohexyl)oxypyridine
SMILESCC1CCCCC1Oc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClNO/c1-9-4-2-3-5-11(9)15-12-7-6-10(13)8-14-12/h6-9,11H,2-5H2,1H3
InChIKeyYDDRKTSQLUTSOS-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylcyclohexyl)oxypyridine?
The IUPAC name of 5-chloro-2-(2-methylcyclohexyl)oxypyridine (CID 66235023) is 5-chloro-2-(2-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 5-chloro-2-(2-methylcyclohexyl)oxypyridine?
The canonical SMILES for 5-chloro-2-(2-methylcyclohexyl)oxypyridine is CC1CCCCC1Oc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-methylcyclohexyl)oxypyridine?
The InChIKey is YDDRKTSQLUTSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-4-2-3-5-11(9)15-12-7-6-10(13)8-14-12/h6-9,11H,2-5H2,1H3.
What are the key properties of 5-chloro-2-(2-methylcyclohexyl)oxypyridine?
5-chloro-2-(2-methylcyclohexyl)oxypyridine has a molecular weight of 225.72 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 66235023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).