(5-bromo-2-pyridinyl)methylphosphonic acid

C6H7BrNO3P — CID 53363175

IUPAC(5-bromo-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(Br)cn1
InChIInChI=1S/C6H7BrNO3P/c7-5-1-2-6(8-3-5)4-12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyVQLHJQQMJSAWQS-UHFFFAOYSA-N
MW252.00 g/mol
LogP1.52
Rot. Bonds2

About (5-bromo-2-pyridinyl)methylphosphonic acid

(5-bromo-2-pyridinyl)methylphosphonic acid (PubChem CID 53363175) has the molecular formula C6H7BrNO3P and a molecular weight of 252.00 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methylphosphonic acid.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methylphosphonic acid
PubChem CID53363175
Molecular FormulaC6H7BrNO3P
Molecular Weight252.00 g/mol
Exact Mass250.93
IUPAC Name(5-bromo-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(Br)cn1
InChIInChI=1S/C6H7BrNO3P/c7-5-1-2-6(8-3-5)4-12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyVQLHJQQMJSAWQS-UHFFFAOYSA-N
XLogP1.52
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.00
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 diethyl phosphate
CID 159956627
(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
2-(azidomethyl)-5-bromopyridine
CID 90266378
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
methyl (5-bromo-2-pyridinyl)methanesulfonate
CID 87273679
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
CID 130167206
5-bromo-2-(isocyanomethyl)pyridine
CID 58496299
2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
CID 107440806

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methylphosphonic acid?
The IUPAC name of (5-bromo-2-pyridinyl)methylphosphonic acid (CID 53363175) is (5-bromo-2-pyridinyl)methylphosphonic acid.
What is the SMILES notation for (5-bromo-2-pyridinyl)methylphosphonic acid?
The canonical SMILES for (5-bromo-2-pyridinyl)methylphosphonic acid is O=P(O)(O)Cc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methylphosphonic acid?
The InChIKey is VQLHJQQMJSAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrNO3P/c7-5-1-2-6(8-3-5)4-12(9,10)11/h1-3H,4H2,(H2,9,10,11).
What are the key properties of (5-bromo-2-pyridinyl)methylphosphonic acid?
(5-bromo-2-pyridinyl)methylphosphonic acid has a molecular weight of 252.00 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methylphosphonic acid is sourced from PubChem (CID 53363175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).