6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine

C15H14ClFN2O — CID 118456052

IUPAC6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CCC2)nc1
InChIInChI=1S/C15H14ClFN2O/c16-12-4-2-10(8-13(12)17)15(6-1-7-15)20-14-5-3-11(18)9-19-14/h2-5,8-9H,1,6-7,18H2
InChIKeyCAWPBMUQZNGRSA-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.91
Rot. Bonds3

About 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine

6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine (PubChem CID 118456052) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine.

Molecular Properties

Compound Name6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine
PubChem CID118456052
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CCC2)nc1
InChIInChI=1S/C15H14ClFN2O/c16-12-4-2-10(8-13(12)17)15(6-1-7-15)20-14-5-3-11(18)9-19-14/h2-5,8-9H,1,6-7,18H2
InChIKeyCAWPBMUQZNGRSA-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine?
The IUPAC name of 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine (CID 118456052) is 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine.
What is the SMILES notation for 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine?
The canonical SMILES for 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine is Nc1ccc(OC2(c3ccc(Cl)c(F)c3)CCC2)nc1.
What is the InChIKey of 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine?
The InChIKey is CAWPBMUQZNGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-4-2-10(8-13(12)17)15(6-1-7-15)20-14-5-3-11(18)9-19-14/h2-5,8-9H,1,6-7,18H2.
What are the key properties of 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine?
6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine has a molecular weight of 292.74 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chloro-3-fluorophenyl)cyclobutyl]oxypyridin-3-amine is sourced from PubChem (CID 118456052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).