3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H8F4N2O2 — CID 66880195

IUPAC3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1ccncc1F
InChIInChI=1S/C13H8F4N2O2/c14-9-6-18-4-3-8(9)12(21)19-10-5-7(13(15,16)17)1-2-11(10)20/h1-6,20H,(H,19,21)
InChIKeyULSMGPJPUMYYQW-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.20
Rot. Bonds2

About 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 66880195) has the molecular formula C13H8F4N2O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID66880195
Molecular FormulaC13H8F4N2O2
Molecular Weight300.21 g/mol
Exact Mass300.05
IUPAC Name3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1ccncc1F
InChIInChI=1S/C13H8F4N2O2/c14-9-6-18-4-3-8(9)12(21)19-10-5-7(13(15,16)17)1-2-11(10)20/h1-6,20H,(H,19,21)
InChIKeyULSMGPJPUMYYQW-UHFFFAOYSA-N
XLogP3.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 66880195) is 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ULSMGPJPUMYYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O2/c14-9-6-18-4-3-8(9)12(21)19-10-5-7(13(15,16)17)1-2-11(10)20/h1-6,20H,(H,19,21).
What are the key properties of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 300.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66880195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).