6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine

C16H16ClFN2O2 — CID 118456054

IUPAC6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CCOCC2)nc1
InChIInChI=1S/C16H16ClFN2O2/c17-13-3-1-11(9-14(13)18)16(5-7-21-8-6-16)22-15-4-2-12(19)10-20-15/h1-4,9-10H,5-8,19H2
InChIKeyZKARRZDNNMWREG-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.54
Rot. Bonds3

About 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine

6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine (PubChem CID 118456054) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine.

Molecular Properties

Compound Name6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine
PubChem CID118456054
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ccc(Cl)c(F)c3)CCOCC2)nc1
InChIInChI=1S/C16H16ClFN2O2/c17-13-3-1-11(9-14(13)18)16(5-7-21-8-6-16)22-15-4-2-12(19)10-20-15/h1-4,9-10H,5-8,19H2
InChIKeyZKARRZDNNMWREG-UHFFFAOYSA-N
XLogP3.54
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine?
The IUPAC name of 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine (CID 118456054) is 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine.
What is the SMILES notation for 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine?
The canonical SMILES for 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine is Nc1ccc(OC2(c3ccc(Cl)c(F)c3)CCOCC2)nc1.
What is the InChIKey of 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine?
The InChIKey is ZKARRZDNNMWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-13-3-1-11(9-14(13)18)16(5-7-21-8-6-16)22-15-4-2-12(19)10-20-15/h1-4,9-10H,5-8,19H2.
What are the key properties of 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine?
6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine has a molecular weight of 322.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxypyridin-3-amine is sourced from PubChem (CID 118456054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).