4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine

C15H21Cl2NO — CID 67743714

IUPAC4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine
SMILESCC(C)(C)C1CCC(Oc2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C15H21Cl2NO/c1-15(2,3)10-4-6-11(7-5-10)19-14-12(16)8-18-9-13(14)17/h8-11H,4-7H2,1-3H3
InChIKeyNAVLUVXYXZEPGP-UHFFFAOYSA-N
MW302.25 g/mol
LogP5.37
Rot. Bonds2

About 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine

4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine (PubChem CID 67743714) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine
PubChem CID67743714
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine
SMILESCC(C)(C)C1CCC(Oc2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C15H21Cl2NO/c1-15(2,3)10-4-6-11(7-5-10)19-14-12(16)8-18-9-13(14)17/h8-11H,4-7H2,1-3H3
InChIKeyNAVLUVXYXZEPGP-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.25
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine (CID 67743714) is 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine is CC(C)(C)C1CCC(Oc2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine?
The InChIKey is NAVLUVXYXZEPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-15(2,3)10-4-6-11(7-5-10)19-14-12(16)8-18-9-13(14)17/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine?
4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine has a molecular weight of 302.25 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)oxy-3,5-dichloropyridine is sourced from PubChem (CID 67743714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).