2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine

C10H12BrFN2O — CID 81210294

IUPAC2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
SMILESFc1ccc(N2CCOC(CBr)C2)nc1
InChIInChI=1S/C10H12BrFN2O/c11-5-9-7-14(3-4-15-9)10-2-1-8(12)6-13-10/h1-2,6,9H,3-5,7H2
InChIKeyGOFJGEZGZWDYCH-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.82
Rot. Bonds2

About 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine

2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine (PubChem CID 81210294) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
PubChem CID81210294
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
SMILESFc1ccc(N2CCOC(CBr)C2)nc1
InChIInChI=1S/C10H12BrFN2O/c11-5-9-7-14(3-4-15-9)10-2-1-8(12)6-13-10/h1-2,6,9H,3-5,7H2
InChIKeyGOFJGEZGZWDYCH-UHFFFAOYSA-N
XLogP1.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine (CID 81210294) is 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine is Fc1ccc(N2CCOC(CBr)C2)nc1.
What is the InChIKey of 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine?
The InChIKey is GOFJGEZGZWDYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-5-9-7-14(3-4-15-9)10-2-1-8(12)6-13-10/h1-2,6,9H,3-5,7H2.
What are the key properties of 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine?
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine has a molecular weight of 275.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 81210294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).