4-(5-bromo-2-pyridinyl)oxan-4-amine

C10H13BrN2O — CID 66828199

IUPAC4-(5-bromo-2-pyridinyl)oxan-4-amine
SMILESNC1(c2ccc(Br)cn2)CCOCC1
InChIInChI=1S/C10H13BrN2O/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6,12H2
InChIKeyUWOJZGDNBZYEMO-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.81
Rot. Bonds1

About 4-(5-bromo-2-pyridinyl)oxan-4-amine

4-(5-bromo-2-pyridinyl)oxan-4-amine (PubChem CID 66828199) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)oxan-4-amine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)oxan-4-amine
PubChem CID66828199
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-(5-bromo-2-pyridinyl)oxan-4-amine
SMILESNC1(c2ccc(Br)cn2)CCOCC1
InChIInChI=1S/C10H13BrN2O/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6,12H2
InChIKeyUWOJZGDNBZYEMO-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)oxan-4-amine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)oxan-4-amine (CID 66828199) is 4-(5-bromo-2-pyridinyl)oxan-4-amine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)oxan-4-amine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)oxan-4-amine is NC1(c2ccc(Br)cn2)CCOCC1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)oxan-4-amine?
The InChIKey is UWOJZGDNBZYEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6,12H2.
What are the key properties of 4-(5-bromo-2-pyridinyl)oxan-4-amine?
4-(5-bromo-2-pyridinyl)oxan-4-amine has a molecular weight of 257.13 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)oxan-4-amine is sourced from PubChem (CID 66828199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).