2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine

C13H17Cl2NO2 — CID 106994599

IUPAC2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
SMILESCOC1CCCC(OCc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H17Cl2NO2/c1-17-10-3-2-4-11(7-10)18-8-9-5-6-12(14)16-13(9)15/h5-6,10-11H,2-4,7-8H2,1H3
InChIKeyDSOUKUUFRLOFQQ-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.86
Rot. Bonds4

About 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine

2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine (PubChem CID 106994599) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
PubChem CID106994599
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
SMILESCOC1CCCC(OCc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H17Cl2NO2/c1-17-10-3-2-4-11(7-10)18-8-9-5-6-12(14)16-13(9)15/h5-6,10-11H,2-4,7-8H2,1H3
InChIKeyDSOUKUUFRLOFQQ-UHFFFAOYSA-N
XLogP3.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine (CID 106994599) is 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine is COC1CCCC(OCc2ccc(Cl)nc2Cl)C1.
What is the InChIKey of 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine?
The InChIKey is DSOUKUUFRLOFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-17-10-3-2-4-11(7-10)18-8-9-5-6-12(14)16-13(9)15/h5-6,10-11H,2-4,7-8H2,1H3.
What are the key properties of 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine?
2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine has a molecular weight of 290.19 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 106994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).