5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine

C12H15ClFNO2 — CID 79733625

IUPAC5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
SMILESCOC1CCCC(Oc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H15ClFNO2/c1-16-9-3-2-4-10(6-9)17-12-11(14)5-8(13)7-15-12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyYIAOJMTYBGOFPS-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.21
Rot. Bonds3

About 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine

5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine (PubChem CID 79733625) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
PubChem CID79733625
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
SMILESCOC1CCCC(Oc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H15ClFNO2/c1-16-9-3-2-4-10(6-9)17-12-11(14)5-8(13)7-15-12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyYIAOJMTYBGOFPS-UHFFFAOYSA-N
XLogP3.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine (CID 79733625) is 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine is COC1CCCC(Oc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine?
The InChIKey is YIAOJMTYBGOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-9-3-2-4-10(6-9)17-12-11(14)5-8(13)7-15-12/h5,7,9-10H,2-4,6H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine?
5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine has a molecular weight of 259.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine is sourced from PubChem (CID 79733625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).