5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide

C14H12FN3O5 — CID 127041521

IUPAC5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C14H12FN3O5/c15-7-1-3-8(4-2-7)17-13(21)9-5-16-11(14(22)18-23)12(20)10(9)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22)
InChIKeySTKAXCPSRRPHPQ-UHFFFAOYSA-N
MW321.26 g/mol
LogP0.79
Rot. Bonds4

About 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide

5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (PubChem CID 127041521) has the molecular formula C14H12FN3O5 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
PubChem CID127041521
Molecular FormulaC14H12FN3O5
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C14H12FN3O5/c15-7-1-3-8(4-2-7)17-13(21)9-5-16-11(14(22)18-23)12(20)10(9)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22)
InChIKeySTKAXCPSRRPHPQ-UHFFFAOYSA-N
XLogP0.79
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 50.79
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (CID 127041521) is 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is O=C(Nc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The InChIKey is STKAXCPSRRPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5/c15-7-1-3-8(4-2-7)17-13(21)9-5-16-11(14(22)18-23)12(20)10(9)6-19/h1-5,19-20,23H,6H2,(H,17,21)(H,18,22).
What are the key properties of 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide has a molecular weight of 321.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 127041521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).