5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine

C12H15ClFNO — CID 79727198

IUPAC5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H15ClFNO/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3
InChIKeyZZUCYXVRUILPAX-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine

5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine (PubChem CID 79727198) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine
PubChem CID79727198
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H15ClFNO/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3
InChIKeyZZUCYXVRUILPAX-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.83
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-(4-methylcyclohexyl)oxypyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine (CID 79727198) is 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine is CC1CCC(Oc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine?
The InChIKey is ZZUCYXVRUILPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine?
5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine has a molecular weight of 243.71 g/mol, XLogP of 3.83, 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-(4-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 79727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).