N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide

C13H9F3N2O2 — CID 175980210

IUPACN-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide
SMILESO=C(/N=c1/ccccn1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-4-9(5-7-10)12(19)17-11-3-1-2-8-18(11)20/h1-8,20H/b17-11-
InChIKeyBYMGAOVNTJLMAF-BOPFTXTBSA-N
MW282.22 g/mol
LogP2.49
Rot. Bonds1

About N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide

N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide (PubChem CID 175980210) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide
PubChem CID175980210
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide
SMILESO=C(/N=c1/ccccn1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-4-9(5-7-10)12(19)17-11-3-1-2-8-18(11)20/h1-8,20H/b17-11-
InChIKeyBYMGAOVNTJLMAF-BOPFTXTBSA-N
XLogP2.49
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide (CID 175980210) is N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide is O=C(/N=c1/ccccn1O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide?
The InChIKey is BYMGAOVNTJLMAF-BOPFTXTBSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)10-6-4-9(5-7-10)12(19)17-11-3-1-2-8-18(11)20/h1-8,20H/b17-11-.
What are the key properties of N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide?
N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide has a molecular weight of 282.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175980210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).