2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine

C10H11BrCl2N2O — CID 81210900

IUPAC2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
SMILESClc1cnc(N2CCOC(CBr)C2)c(Cl)c1
InChIInChI=1S/C10H11BrCl2N2O/c11-4-8-6-15(1-2-16-8)10-9(13)3-7(12)5-14-10/h3,5,8H,1-2,4,6H2
InChIKeyRFJOIYWIGTYXMH-UHFFFAOYSA-N
MW326.02 g/mol
LogP2.99
Rot. Bonds2

About 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine

2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine (PubChem CID 81210900) has the molecular formula C10H11BrCl2N2O and a molecular weight of 326.02 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
PubChem CID81210900
Molecular FormulaC10H11BrCl2N2O
Molecular Weight326.02 g/mol
Exact Mass323.94
IUPAC Name2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
SMILESClc1cnc(N2CCOC(CBr)C2)c(Cl)c1
InChIInChI=1S/C10H11BrCl2N2O/c11-4-8-6-15(1-2-16-8)10-9(13)3-7(12)5-14-10/h3,5,8H,1-2,4,6H2
InChIKeyRFJOIYWIGTYXMH-UHFFFAOYSA-N
XLogP2.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 52.99
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-(3,5-dichloro-2-pyridinyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine (CID 81210900) is 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine is Clc1cnc(N2CCOC(CBr)C2)c(Cl)c1.
What is the InChIKey of 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine?
The InChIKey is RFJOIYWIGTYXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O/c11-4-8-6-15(1-2-16-8)10-9(13)3-7(12)5-14-10/h3,5,8H,1-2,4,6H2.
What are the key properties of 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine?
2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine has a molecular weight of 326.02 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine is sourced from PubChem (CID 81210900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).