5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C15H14F2N2O5 — CID 44539902

IUPAC5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(COCc2ccc(F)cc2F)c(CO)c1O
InChIInChI=1S/C15H14F2N2O5/c16-10-2-1-8(12(17)3-10)6-24-7-9-4-18-13(15(22)19-23)14(21)11(9)5-20/h1-4,20-21,23H,5-7H2,(H,19,22)
InChIKeyGIDJZLATDOQHJV-UHFFFAOYSA-N
MW340.28 g/mol
LogP1.39
Rot. Bonds6

About 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 44539902) has the molecular formula C15H14F2N2O5 and a molecular weight of 340.28 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID44539902
Molecular FormulaC15H14F2N2O5
Molecular Weight340.28 g/mol
Exact Mass340.09
IUPAC Name5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(COCc2ccc(F)cc2F)c(CO)c1O
InChIInChI=1S/C15H14F2N2O5/c16-10-2-1-8(12(17)3-10)6-24-7-9-4-18-13(15(22)19-23)14(21)11(9)5-20/h1-4,20-21,23H,5-7H2,(H,19,22)
InChIKeyGIDJZLATDOQHJV-UHFFFAOYSA-N
XLogP1.39
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041520
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041224
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide
CID 58360308
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
CID 58360304
3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide
CID 87747601
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 10316516
5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
CID 44540009
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl 2,2,2-trifluoroacetate
CID 162159235
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(2,4-difluorophenyl)methoxy]-N-methylacetohydrazide
CID 116845352
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 44539902) is 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(COCc2ccc(F)cc2F)c(CO)c1O.
What is the InChIKey of 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is GIDJZLATDOQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O5/c16-10-2-1-8(12(17)3-10)6-24-7-9-4-18-13(15(22)19-23)14(21)11(9)5-20/h1-4,20-21,23H,5-7H2,(H,19,22).
What are the key properties of 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 340.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 44539902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).