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

C13H9F3N2O2 — CID 162536125

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1ccccn1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-4-5-11(19)10(7-8)18-12(20)9-3-1-2-6-17-9/h1-7,19H,(H,18,20)
InChIKeyZGHRATCMRDTNJA-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.06
Rot. Bonds2

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

N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 162536125) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID162536125
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1ccccn1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-4-5-11(19)10(7-8)18-12(20)9-3-1-2-6-17-9/h1-7,19H,(H,18,20)
InChIKeyZGHRATCMRDTNJA-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.06
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 N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 162536125) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccccn1.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZGHRATCMRDTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-4-5-11(19)10(7-8)18-12(20)9-3-1-2-6-17-9/h1-7,19H,(H,18,20).
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 282.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 162536125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).