4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide

C18H13FN2O2 — CID 87562640

IUPAC4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C18H13FN2O2/c19-16-10-13(6-7-15(16)12-4-2-1-3-5-12)14-8-9-20-17(11-14)18(22)21-23/h1-11,23H,(H,21,22)
InChIKeyVPTGSQXELLWPJO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.67
Rot. Bonds3

About 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide

4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide (PubChem CID 87562640) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide
PubChem CID87562640
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C18H13FN2O2/c19-16-10-13(6-7-15(16)12-4-2-1-3-5-12)14-8-9-20-17(11-14)18(22)21-23/h1-11,23H,(H,21,22)
InChIKeyVPTGSQXELLWPJO-UHFFFAOYSA-N
XLogP3.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide (CID 87562640) is 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide is O=C(NO)c1cc(-c2ccc(-c3ccccc3)c(F)c2)ccn1.
What is the InChIKey of 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide?
The InChIKey is VPTGSQXELLWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-16-10-13(6-7-15(16)12-4-2-1-3-5-12)14-8-9-20-17(11-14)18(22)21-23/h1-11,23H,(H,21,22).
What are the key properties of 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide?
4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-phenylphenyl)-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 87562640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).