5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine

C14H19ClFNO — CID 79727605

IUPAC5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine
SMILESCC1CC(Oc2ncc(Cl)cc2F)CC(C)(C)C1
InChIInChI=1S/C14H19ClFNO/c1-9-4-11(7-14(2,3)6-9)18-13-12(16)5-10(15)8-17-13/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyRXIGNEFGVFHTNJ-UHFFFAOYSA-N
MW271.76 g/mol
LogP4.47
Rot. Bonds2

About 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine

5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine (PubChem CID 79727605) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine
PubChem CID79727605
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine
SMILESCC1CC(Oc2ncc(Cl)cc2F)CC(C)(C)C1
InChIInChI=1S/C14H19ClFNO/c1-9-4-11(7-14(2,3)6-9)18-13-12(16)5-10(15)8-17-13/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyRXIGNEFGVFHTNJ-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine (CID 79727605) is 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine is CC1CC(Oc2ncc(Cl)cc2F)CC(C)(C)C1.
What is the InChIKey of 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine?
The InChIKey is RXIGNEFGVFHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9-4-11(7-14(2,3)6-9)18-13-12(16)5-10(15)8-17-13/h5,8-9,11H,4,6-7H2,1-3H3.
What are the key properties of 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine?
5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine has a molecular weight of 271.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(3,3,5-trimethylcyclohexyl)oxypyridine is sourced from PubChem (CID 79727605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).