2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid

C8H10NO6P — CID 19084753

IUPAC2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(O)(Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H,10,11)(H2,13,14,15)
InChIKeyUSAKWMDUQWQDIY-UHFFFAOYSA-N
MW247.14 g/mol
LogP-0.43
Rot. Bonds4

About 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid

2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid (PubChem CID 19084753) has the molecular formula C8H10NO6P and a molecular weight of 247.14 g/mol. Its IUPAC name is 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
PubChem CID19084753
Molecular FormulaC8H10NO6P
Molecular Weight247.14 g/mol
Exact Mass247.02
IUPAC Name2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(O)(Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H,10,11)(H2,13,14,15)
InChIKeyUSAKWMDUQWQDIY-UHFFFAOYSA-N
XLogP-0.43
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;1,1-diphosphonato-2-pyridin-2-ylethanol
CID 172750109
ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate
CID 19084757
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphonopropanoic acid chloride
CID 19084782
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611
CID 131857449
CID 131857449
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
3-(1-ethylpyridin-1-ium-3-yl)-2-hydroxy-2-phosphonopropanoic acid chloride
CID 19084745
acetic acid;2-ethylpyridine
CID 70072313
3-hydroxy-3-methyl-4-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 66001150
[1-hydroxy-1-phosphono-3-(3-pyridin-2-ylpropylamino)propyl]phosphonic acid
CID 18542139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid (CID 19084753) is 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid is O=C(O)C(O)(Cc1ccccn1)P(=O)(O)O.
What is the InChIKey of 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid?
The InChIKey is USAKWMDUQWQDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)5-6-3-1-2-4-9-6/h1-4,12H,5H2,(H,10,11)(H2,13,14,15).
What are the key properties of 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid?
2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid has a molecular weight of 247.14 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 19084753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).