N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

C13H9F3N2O3 — CID 66880246

IUPACN-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccncc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-1-2-11(19)10(7-9)18-12(20)8-3-5-17-6-4-8/h1-7,19H,(H,18,20)
InChIKeyPSEDGSQTILZBQX-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.94
Rot. Bonds3

About N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 66880246) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
PubChem CID66880246
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC NameN-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccncc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-1-2-11(19)10(7-9)18-12(20)8-3-5-17-6-4-8/h1-7,19H,(H,18,20)
InChIKeyPSEDGSQTILZBQX-UHFFFAOYSA-N
XLogP2.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (CID 66880246) is N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccncc1.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is PSEDGSQTILZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-1-2-11(19)10(7-9)18-12(20)8-3-5-17-6-4-8/h1-7,19H,(H,18,20).
What are the key properties of N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66880246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).