6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine

C15H15Cl2N3O2 — CID 126720271

IUPAC6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ncc(Cl)cc3Cl)CCOCC2)nc1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-7-12(17)14(20-8-10)15(3-5-21-6-4-15)22-13-2-1-11(18)9-19-13/h1-2,7-9H,3-6,18H2
InChIKeyCZBQLFXUOQXABW-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.45
Rot. Bonds3

About 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine

6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine (PubChem CID 126720271) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine.

Molecular Properties

Compound Name6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine
PubChem CID126720271
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine
SMILESNc1ccc(OC2(c3ncc(Cl)cc3Cl)CCOCC2)nc1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-7-12(17)14(20-8-10)15(3-5-21-6-4-15)22-13-2-1-11(18)9-19-13/h1-2,7-9H,3-6,18H2
InChIKeyCZBQLFXUOQXABW-UHFFFAOYSA-N
XLogP3.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine?
The IUPAC name of 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine (CID 126720271) is 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine.
What is the SMILES notation for 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine?
The canonical SMILES for 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine is Nc1ccc(OC2(c3ncc(Cl)cc3Cl)CCOCC2)nc1.
What is the InChIKey of 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine?
The InChIKey is CZBQLFXUOQXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-7-12(17)14(20-8-10)15(3-5-21-6-4-15)22-13-2-1-11(18)9-19-13/h1-2,7-9H,3-6,18H2.
What are the key properties of 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine?
6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine has a molecular weight of 340.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dichloro-2-pyridinyl)oxan-4-yl]oxypyridin-3-amine is sourced from PubChem (CID 126720271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).