4-[(2-bromo-3-pyridinyl)methyl]morpholine

C10H13BrN2O — CID 23438103

IUPAC4-[(2-bromo-3-pyridinyl)methyl]morpholine
SMILESBrc1ncccc1CN1CCOCC1
InChIInChI=1S/C10H13BrN2O/c11-10-9(2-1-3-12-10)8-13-4-6-14-7-5-13/h1-3H,4-8H2
InChIKeyNXPBDXMODZVUES-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.68
Rot. Bonds2

About 4-[(2-bromo-3-pyridinyl)methyl]morpholine

4-[(2-bromo-3-pyridinyl)methyl]morpholine (PubChem CID 23438103) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-[(2-bromo-3-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-bromo-3-pyridinyl)methyl]morpholine
PubChem CID23438103
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-[(2-bromo-3-pyridinyl)methyl]morpholine
SMILESBrc1ncccc1CN1CCOCC1
InChIInChI=1S/C10H13BrN2O/c11-10-9(2-1-3-12-10)8-13-4-6-14-7-5-13/h1-3H,4-8H2
InChIKeyNXPBDXMODZVUES-UHFFFAOYSA-N
XLogP1.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
4-[[2-(3-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 74250444
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
2-[4-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 173270200
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
13-(1,10-phenanthrolin-2-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 100957507
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(2-bromo-3-pyridinyl)methyl]morpholine (CID 23438103) is 4-[(2-bromo-3-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-bromo-3-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(2-bromo-3-pyridinyl)methyl]morpholine is Brc1ncccc1CN1CCOCC1.
What is the InChIKey of 4-[(2-bromo-3-pyridinyl)methyl]morpholine?
The InChIKey is NXPBDXMODZVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-10-9(2-1-3-12-10)8-13-4-6-14-7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[(2-bromo-3-pyridinyl)methyl]morpholine?
4-[(2-bromo-3-pyridinyl)methyl]morpholine has a molecular weight of 257.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-pyridinyl)methyl]morpholine is sourced from PubChem (CID 23438103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).