5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C15H13FN2O4 — CID 127041224

IUPAC5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(/C=C/c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H13FN2O4/c16-11-5-2-9(3-6-11)1-4-10-7-17-13(15(21)18-22)14(20)12(10)8-19/h1-7,19-20,22H,8H2,(H,18,21)/b4-1+
InChIKeyRNJWCDJQDSDKPN-DAFODLJHSA-N
MW304.28 g/mol
LogP1.71
Rot. Bonds4

About 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 127041224) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID127041224
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(/C=C/c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H13FN2O4/c16-11-5-2-9(3-6-11)1-4-10-7-17-13(15(21)18-22)14(20)12(10)8-19/h1-7,19-20,22H,8H2,(H,18,21)/b4-1+
InChIKeyRNJWCDJQDSDKPN-DAFODLJHSA-N
XLogP1.71
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 127041224) is 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(/C=C/c2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is RNJWCDJQDSDKPN-DAFODLJHSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-11-5-2-9(3-6-11)1-4-10-7-17-13(15(21)18-22)14(20)12(10)8-19/h1-7,19-20,22H,8H2,(H,18,21)/b4-1+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 304.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127041224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).