pyridin-3-ylmethylphosphonic acid

C6H8NO3P — CID 14787578

IUPACpyridin-3-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1cccnc1
InChIInChI=1S/C6H8NO3P/c8-11(9,10)5-6-2-1-3-7-4-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyQDDHHQXANXQQAY-UHFFFAOYSA-N
MW173.11 g/mol
LogP0.76
Rot. Bonds2

About pyridin-3-ylmethylphosphonic acid

pyridin-3-ylmethylphosphonic acid (PubChem CID 14787578) has the molecular formula C6H8NO3P and a molecular weight of 173.11 g/mol. Its IUPAC name is pyridin-3-ylmethylphosphonic acid.

Molecular Properties

Compound Namepyridin-3-ylmethylphosphonic acid
PubChem CID14787578
Molecular FormulaC6H8NO3P
Molecular Weight173.11 g/mol
Exact Mass173.02
IUPAC Namepyridin-3-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1cccnc1
InChIInChI=1S/C6H8NO3P/c8-11(9,10)5-6-2-1-3-7-4-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyQDDHHQXANXQQAY-UHFFFAOYSA-N
XLogP0.76
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 50.76
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

Pyridine
CID 1049
3-Methylpyridine
CID 7970
Risedronate
CID 5245
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-Cyanopyridine
CID 79
Risedronate Sodium
CID 4194514
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
4-Ethylpyridine
CID 10822

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethylphosphonic acid?
The IUPAC name of pyridin-3-ylmethylphosphonic acid (CID 14787578) is pyridin-3-ylmethylphosphonic acid.
What is the SMILES notation for pyridin-3-ylmethylphosphonic acid?
The canonical SMILES for pyridin-3-ylmethylphosphonic acid is O=P(O)(O)Cc1cccnc1.
What is the InChIKey of pyridin-3-ylmethylphosphonic acid?
The InChIKey is QDDHHQXANXQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3P/c8-11(9,10)5-6-2-1-3-7-4-6/h1-4H,5H2,(H2,8,9,10).
What are the key properties of pyridin-3-ylmethylphosphonic acid?
pyridin-3-ylmethylphosphonic acid has a molecular weight of 173.11 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethylphosphonic acid is sourced from PubChem (CID 14787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).