2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine

C14H20ClNO — CID 79242882

IUPAC2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2cccc(Cl)n2)CC1C
InChIInChI=1S/C14H20ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyRETMTLCQLFKIGJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine

2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine (PubChem CID 79242882) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
PubChem CID79242882
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2cccc(Cl)n2)CC1C
InChIInChI=1S/C14H20ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyRETMTLCQLFKIGJ-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.08
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-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The IUPAC name of 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine (CID 79242882) is 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine is CC1CCC(OCc2cccc(Cl)n2)CC1C.
What is the InChIKey of 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The InChIKey is RETMTLCQLFKIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(15)16-12/h3-5,10-11,13H,6-9H2,1-2H3.
What are the key properties of 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine has a molecular weight of 253.77 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 79242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).