(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone

C10H11BrN2O2 — CID 720020

IUPAC(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(c1cncc(Br)c1)N1CCOCC1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(6-12-7-9)10(14)13-1-3-15-4-2-13/h5-7H,1-4H2
InChIKeyDGXAEBFHFVGRSH-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.32
Rot. Bonds1

About (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone

(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone (PubChem CID 720020) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone
PubChem CID720020
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone
SMILESO=C(c1cncc(Br)c1)N1CCOCC1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(6-12-7-9)10(14)13-1-3-15-4-2-13/h5-7H,1-4H2
InChIKeyDGXAEBFHFVGRSH-UHFFFAOYSA-N
XLogP1.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The IUPAC name of (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone (CID 720020) is (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone is O=C(c1cncc(Br)c1)N1CCOCC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
The InChIKey is DGXAEBFHFVGRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-5-8(6-12-7-9)10(14)13-1-3-15-4-2-13/h5-7H,1-4H2.
What are the key properties of (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone?
(5-bromo-3-pyridinyl)-morpholin-4-ylmethanone has a molecular weight of 271.11 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).