(5-bromo-2-pyridinyl)methyl diethyl phosphate

C10H15BrNO4P — CID 159956627

IUPAC(5-bromo-2-pyridinyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrNO4P/c1-3-14-17(13,15-4-2)16-8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyOCUJWLHOHXSQAJ-UHFFFAOYSA-N
MW324.11 g/mol
LogP3.54
Rot. Bonds7

About (5-bromo-2-pyridinyl)methyl diethyl phosphate

(5-bromo-2-pyridinyl)methyl diethyl phosphate (PubChem CID 159956627) has the molecular formula C10H15BrNO4P and a molecular weight of 324.11 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methyl diethyl phosphate.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methyl diethyl phosphate
PubChem CID159956627
Molecular FormulaC10H15BrNO4P
Molecular Weight324.11 g/mol
Exact Mass322.99
IUPAC Name(5-bromo-2-pyridinyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrNO4P/c1-3-14-17(13,15-4-2)16-8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyOCUJWLHOHXSQAJ-UHFFFAOYSA-N
XLogP3.54
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
CID 174977338
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
(5-bromo-2-pyridinyl)methylphosphonic acid
CID 53363175
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
(5-bromo-2-pyridinyl)methyl 3-amino-2-ethoxybenzoate
CID 104808521
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
CID 104809745
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136
(5-bromo-2-pyridinyl)methyl 2-amino-5-methylbenzoate
CID 115622519
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
2-[(5-bromo-2-pyridinyl)methoxy]benzamide
CID 104809676

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methyl diethyl phosphate?
The IUPAC name of (5-bromo-2-pyridinyl)methyl diethyl phosphate (CID 159956627) is (5-bromo-2-pyridinyl)methyl diethyl phosphate.
What is the SMILES notation for (5-bromo-2-pyridinyl)methyl diethyl phosphate?
The canonical SMILES for (5-bromo-2-pyridinyl)methyl diethyl phosphate is CCOP(=O)(OCC)OCc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methyl diethyl phosphate?
The InChIKey is OCUJWLHOHXSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrNO4P/c1-3-14-17(13,15-4-2)16-8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)methyl diethyl phosphate?
(5-bromo-2-pyridinyl)methyl diethyl phosphate has a molecular weight of 324.11 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methyl diethyl phosphate is sourced from PubChem (CID 159956627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).