5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine

C15H22ClNO — CID 81234870

IUPAC5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
SMILESCCC1CCCCC1Oc1cc(C)ncc1CCl
InChIInChI=1S/C15H22ClNO/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)17-10-13(15)9-16/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyRFIXXCPVWTUYDH-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.48
Rot. Bonds4

About 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine

5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine (PubChem CID 81234870) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
PubChem CID81234870
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
SMILESCCC1CCCCC1Oc1cc(C)ncc1CCl
InChIInChI=1S/C15H22ClNO/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)17-10-13(15)9-16/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyRFIXXCPVWTUYDH-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine (CID 81234870) is 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine is CCC1CCCCC1Oc1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine?
The InChIKey is RFIXXCPVWTUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-12-6-4-5-7-14(12)18-15-8-11(2)17-10-13(15)9-16/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine?
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine has a molecular weight of 267.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine is sourced from PubChem (CID 81234870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).