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

C6H7BrNO4P — CID 174977338

IUPAC(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCc1ccc(Br)cn1
InChIInChI=1S/C6H7BrNO4P/c7-5-1-2-6(8-3-5)4-12-13(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyYBXAPMOTBDTLJZ-UHFFFAOYSA-N
MW268.00 g/mol
LogP1.45
Rot. Bonds3

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

(5-bromo-2-pyridinyl)methyl dihydrogen phosphate (PubChem CID 174977338) has the molecular formula C6H7BrNO4P and a molecular weight of 268.00 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
PubChem CID174977338
Molecular FormulaC6H7BrNO4P
Molecular Weight268.00 g/mol
Exact Mass266.93
IUPAC Name(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCc1ccc(Br)cn1
InChIInChI=1S/C6H7BrNO4P/c7-5-1-2-6(8-3-5)4-12-13(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyYBXAPMOTBDTLJZ-UHFFFAOYSA-N
XLogP1.45
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.00
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-pyridinyl)methyl diethyl phosphate
CID 159956627
(5-bromo-2-pyridinyl)methylphosphonic acid
CID 53363175
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
5-bromo-2-(4-methylpentan-2-yloxymethyl)pyridine
CID 104809745
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
2-[(5-bromo-2-pyridinyl)methoxy]benzamide
CID 104809676
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
2-(azidomethyl)-5-bromopyridine
CID 90266378

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methyl dihydrogen phosphate?
The IUPAC name of (5-bromo-2-pyridinyl)methyl dihydrogen phosphate (CID 174977338) is (5-bromo-2-pyridinyl)methyl dihydrogen phosphate.
What is the SMILES notation for (5-bromo-2-pyridinyl)methyl dihydrogen phosphate?
The canonical SMILES for (5-bromo-2-pyridinyl)methyl dihydrogen phosphate is O=P(O)(O)OCc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methyl dihydrogen phosphate?
The InChIKey is YBXAPMOTBDTLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrNO4P/c7-5-1-2-6(8-3-5)4-12-13(9,10)11/h1-3H,4H2,(H2,9,10,11).
What are the key properties of (5-bromo-2-pyridinyl)methyl dihydrogen phosphate?
(5-bromo-2-pyridinyl)methyl dihydrogen phosphate has a molecular weight of 268.00 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methyl dihydrogen phosphate is sourced from PubChem (CID 174977338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).