[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid

C9H13FNO4P — CID 21352219

IUPAC[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid
SMILESCc1ncc(C(F)P(C)(=O)O)c(CO)c1O
InChIInChI=1S/C9H13FNO4P/c1-5-8(13)7(4-12)6(3-11-5)9(10)16(2,14)15/h3,9,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyGAFAIAAYVAJVGG-UHFFFAOYSA-N
MW249.18 g/mol
LogP1.46
Rot. Bonds3

About [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid

[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid (PubChem CID 21352219) has the molecular formula C9H13FNO4P and a molecular weight of 249.18 g/mol. Its IUPAC name is [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid.

Molecular Properties

Compound Name[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid
PubChem CID21352219
Molecular FormulaC9H13FNO4P
Molecular Weight249.18 g/mol
Exact Mass249.06
IUPAC Name[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid
SMILESCc1ncc(C(F)P(C)(=O)O)c(CO)c1O
InChIInChI=1S/C9H13FNO4P/c1-5-8(13)7(4-12)6(3-11-5)9(10)16(2,14)15/h3,9,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyGAFAIAAYVAJVGG-UHFFFAOYSA-N
XLogP1.46
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1,1-difluoro-2-hydroxy-2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethyl]phosphonic acid
CID 69434839
5-[dimethylphosphoryl(fluoro)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;5-[dimethylphosphoryl(fluoro)methyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine;[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]phosphonic acid
CID 91092545
bis[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy]-oxophosphanium
CID 69100108
1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanone
CID 23342911
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl phosphate
CID 24794348
[hydroxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-2-phenyl-3-pyridinyl]methyl]-methylphosphinic acid
CID 58732497
5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 13491773
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 174533027

Frequently Asked Questions

What is the IUPAC name of [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid?
The IUPAC name of [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid (CID 21352219) is [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid.
What is the SMILES notation for [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid?
The canonical SMILES for [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid is Cc1ncc(C(F)P(C)(=O)O)c(CO)c1O.
What is the InChIKey of [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid?
The InChIKey is GAFAIAAYVAJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNO4P/c1-5-8(13)7(4-12)6(3-11-5)9(10)16(2,14)15/h3,9,12-13H,4H2,1-2H3,(H,14,15).
What are the key properties of [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid?
[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid has a molecular weight of 249.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-methylphosphinic acid is sourced from PubChem (CID 21352219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).